smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O[C@@H](COc1ccc(OC[C@H](O)Cn2cc[nH+]c2)cc1)Cn1cc[nH+]c1 ZINC000003902338 204113716 /nfs/dbraw/zinc/11/37/16/204113716.db2.gz BFNAQQMZMYIXFT-HZPDHXFCSA-N 2 2 358.398 0.959 50 0 FCAALP O[C@@H](COc1ccc(OC[C@@H](O)Cn2cc[nH+]c2)cc1)Cn1cc[nH+]c1 ZINC000003902339 204114820 /nfs/dbraw/zinc/11/48/20/204114820.db2.gz BFNAQQMZMYIXFT-IYBDPMFKSA-N 2 2 358.398 0.959 50 0 FCAALP Cc1cccn2c(CNC(=O)[C@@]34C[NH2+]C[C@@H]3CN(C(=O)C3CC3)C4)c[nH+]c12 ZINC000065460901 205351177 /nfs/dbraw/zinc/35/11/77/205351177.db2.gz QLPIMNHDXZNABT-FOIQADDNSA-N 2 2 367.453 0.717 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)CCn1c3ccccc3[nH]c1=O)CC[N@@H+]2C ZINC000067675823 205382269 /nfs/dbraw/zinc/38/22/69/205382269.db2.gz XDXBYOAVYUOQRT-UHFFFAOYSA-N 2 2 371.485 0.958 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)CCn1c3ccccc3[nH]c1=O)CC[N@H+]2C ZINC000067675823 205382272 /nfs/dbraw/zinc/38/22/72/205382272.db2.gz XDXBYOAVYUOQRT-UHFFFAOYSA-N 2 2 371.485 0.958 50 0 FCAALP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[NH+](CCCOc3ccc(F)cc3)CC2)C1 ZINC000067871450 205399006 /nfs/dbraw/zinc/39/90/06/205399006.db2.gz ZIIMOVZBQCOOCR-WBVHZDCISA-N 3 2 350.438 0.428 50 0 FCAALP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)C1 ZINC000067871450 205399009 /nfs/dbraw/zinc/39/90/09/205399009.db2.gz ZIIMOVZBQCOOCR-WBVHZDCISA-N 2 2 350.438 0.428 50 0 FCAALP O=C([C@H]1CCC[N@@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1)N1CCOCC1 ZINC000067872734 205399714 /nfs/dbraw/zinc/39/97/14/205399714.db2.gz DIWLXURHVXLFKM-INIZCTEOSA-N 2 2 361.490 0.945 50 0 FCAALP O=C([C@H]1CCC[N@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1)N1CCOCC1 ZINC000067872734 205399715 /nfs/dbraw/zinc/39/97/15/205399715.db2.gz DIWLXURHVXLFKM-INIZCTEOSA-N 2 2 361.490 0.945 50 0 FCAALP O=C([C@H]1CCC[N@@H+](C2CCN(Cc3c[nH]c[nH+]3)CC2)C1)N1CCOCC1 ZINC000067872734 205399719 /nfs/dbraw/zinc/39/97/19/205399719.db2.gz DIWLXURHVXLFKM-INIZCTEOSA-N 2 2 361.490 0.945 50 0 FCAALP O=C([C@H]1CCC[N@H+](C2CCN(Cc3c[nH]c[nH+]3)CC2)C1)N1CCOCC1 ZINC000067872734 205399723 /nfs/dbraw/zinc/39/97/23/205399723.db2.gz DIWLXURHVXLFKM-INIZCTEOSA-N 2 2 361.490 0.945 50 0 FCAALP CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(C(=O)c1cn3c(n1)C[NH2+]CC3)C2 ZINC000072137034 205475724 /nfs/dbraw/zinc/47/57/24/205475724.db2.gz VHIKIEWDUHBKPJ-KDOFPFPSSA-N 2 2 361.446 0.134 50 0 FCAALP CC(C)Oc1cc(N2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)nc(N)[nH+]1 ZINC000095502769 132212460 /nfs/dbraw/zinc/21/24/60/132212460.db2.gz HAIZEOOKSQAPFQ-GFCCVEGCSA-N 2 2 359.434 0.912 50 0 FCAALP Cc1cc(C)nc(N2CCN(c3cc(C4CC([NH3+])C4)[nH+]c(N)n3)CC2)n1 ZINC000223309596 132279111 /nfs/dbraw/zinc/27/91/11/132279111.db2.gz PVUPOWXSPZXYGB-UHFFFAOYSA-N 2 2 354.462 0.997 50 0 FCAALP Cc1cnc(C)c(N2CCN(c3cc(C4CC([NH3+])C4)[nH+]c(N)n3)CC2)n1 ZINC000223409910 132279117 /nfs/dbraw/zinc/27/91/17/132279117.db2.gz VFMTUCNHELWGDM-UHFFFAOYSA-N 2 2 354.462 0.997 50 0 FCAALP O[C@H](CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)C[NH+]1CCOCC1 ZINC000025539659 487668237 /nfs/dbraw/zinc/66/82/37/487668237.db2.gz IYGSAZXXCJDWPZ-QGZVFWFLSA-N 2 2 363.458 0.226 50 0 FCAALP C[NH+]1CCN(C(=O)[C@@H]2CN(Cc3c(Cl)cncc3Cl)CC[NH2+]2)CC1 ZINC000072129276 488377795 /nfs/dbraw/zinc/37/77/95/488377795.db2.gz AEMULJWKFDBIMG-HNNXBMFYSA-N 2 2 372.300 0.936 50 0 FCAALP NC(=O)CC[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072163501 488379086 /nfs/dbraw/zinc/37/90/86/488379086.db2.gz GHEUJFUIIYIKRY-QGZVFWFLSA-N 2 2 374.485 0.873 50 0 FCAALP NC(=O)CC[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072163501 488379087 /nfs/dbraw/zinc/37/90/87/488379087.db2.gz GHEUJFUIIYIKRY-QGZVFWFLSA-N 2 2 374.485 0.873 50 0 FCAALP COc1cccc(OC[C@@H](O)CNc2nc(N)[nH+]c3c2CC[NH2+]CC3)c1 ZINC000072407484 488380020 /nfs/dbraw/zinc/38/00/20/488380020.db2.gz CYDFDJGMKFYSKV-LBPRGKRZSA-N 2 2 359.430 0.607 50 0 FCAALP COc1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)ccc1OCC(N)=O ZINC000072418193 488380145 /nfs/dbraw/zinc/38/01/45/488380145.db2.gz QCDHZGZFMQLFAI-GOSISDBHSA-N 2 2 351.447 0.448 50 0 FCAALP COc1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)ccc1OCC(N)=O ZINC000072418193 488380146 /nfs/dbraw/zinc/38/01/46/488380146.db2.gz QCDHZGZFMQLFAI-GOSISDBHSA-N 2 2 351.447 0.448 50 0 FCAALP Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000072411781 488380256 /nfs/dbraw/zinc/38/02/56/488380256.db2.gz UOZHRSKBAGBCAQ-AWEZNQCLSA-N 2 2 350.511 0.689 50 0 FCAALP Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000072411781 488380257 /nfs/dbraw/zinc/38/02/57/488380257.db2.gz UOZHRSKBAGBCAQ-AWEZNQCLSA-N 2 2 350.511 0.689 50 0 FCAALP COc1cc(=O)n2c(c1C(=O)N1CCC(c3[nH]cc[nH+]3)CC1)CC[NH2+]CC2 ZINC000072447482 488381174 /nfs/dbraw/zinc/38/11/74/488381174.db2.gz TUHNBDVKYFXFPG-UHFFFAOYSA-N 2 2 371.441 0.746 50 0 FCAALP O=C(CCc1cn2ccccc2[nH+]1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077323732 488410786 /nfs/dbraw/zinc/41/07/86/488410786.db2.gz HBWYTYYJDFIQKX-HXUWFJFHSA-N 2 2 372.469 0.953 50 0 FCAALP CCCn1cc[nH+]c1CNC(=O)c1c(OC)cc(=O)n2c1CC[NH2+]CC2 ZINC000243901857 488460263 /nfs/dbraw/zinc/46/02/63/488460263.db2.gz BEXVKTVGJQELEK-UHFFFAOYSA-N 2 2 359.430 0.539 50 0 FCAALP CC(=O)N1CC[N@H+](Cc2ccccc2OCCn2cc[nH+]c2)C[C@@H](O)C1 ZINC000091563115 488465281 /nfs/dbraw/zinc/46/52/81/488465281.db2.gz XYMNIOYJHXYOFW-GOSISDBHSA-N 2 2 358.442 0.987 50 0 FCAALP CC(=O)N1CC[N@@H+](Cc2ccccc2OCCn2cc[nH+]c2)C[C@@H](O)C1 ZINC000091563115 488465283 /nfs/dbraw/zinc/46/52/83/488465283.db2.gz XYMNIOYJHXYOFW-GOSISDBHSA-N 2 2 358.442 0.987 50 0 FCAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC000091808690 488470165 /nfs/dbraw/zinc/47/01/65/488470165.db2.gz JMKKJJFUNRKZBI-QGZVFWFLSA-N 2 2 374.485 0.537 50 0 FCAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000091808690 488470166 /nfs/dbraw/zinc/47/01/66/488470166.db2.gz JMKKJJFUNRKZBI-QGZVFWFLSA-N 2 2 374.485 0.537 50 0 FCAALP CN(C)C(=O)NCC(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095504447 488485130 /nfs/dbraw/zinc/48/51/30/488485130.db2.gz RILDKTPSCPMFFO-OAHLLOKOSA-N 2 2 364.494 0.812 50 0 FCAALP O=C(C1CC[NH+](C2CCCC2)CC1)N1CCNC(=O)[C@@H]1Cc1c[nH+]c[nH]1 ZINC000097295137 488492826 /nfs/dbraw/zinc/49/28/26/488492826.db2.gz AWYWWIWGUCZWIP-KRWDZBQOSA-N 2 2 359.474 0.934 50 0 FCAALP O=C(C1CC[NH+](C2CCCC2)CC1)N1CCNC(=O)[C@@H]1Cc1c[nH]c[nH+]1 ZINC000097295137 488492829 /nfs/dbraw/zinc/49/28/29/488492829.db2.gz AWYWWIWGUCZWIP-KRWDZBQOSA-N 2 2 359.474 0.934 50 0 FCAALP COCCn1c(C[NH+]2CCC(O)(C[NH+](C)C)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252518153 488518239 /nfs/dbraw/zinc/51/82/39/488518239.db2.gz AEGWHJNFDJRXDN-GASCZTMLSA-N 3 2 366.510 0.018 50 0 FCAALP Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1c[nH+]c[nH]1 ZINC000426379659 489564963 /nfs/dbraw/zinc/56/49/63/489564963.db2.gz JBZDOQFKNXUADK-QGZVFWFLSA-N 2 2 355.442 0.768 50 0 FCAALP Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1c[nH+]c[nH]1 ZINC000426379659 489564965 /nfs/dbraw/zinc/56/49/65/489564965.db2.gz JBZDOQFKNXUADK-QGZVFWFLSA-N 2 2 355.442 0.768 50 0 FCAALP Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1c[nH+]c[nH]1 ZINC000426379658 489565181 /nfs/dbraw/zinc/56/51/81/489565181.db2.gz JBZDOQFKNXUADK-KRWDZBQOSA-N 2 2 355.442 0.768 50 0 FCAALP Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1c[nH+]c[nH]1 ZINC000426379658 489565182 /nfs/dbraw/zinc/56/51/82/489565182.db2.gz JBZDOQFKNXUADK-KRWDZBQOSA-N 2 2 355.442 0.768 50 0 FCAALP Cc1ccc[nH+]c1NCCNc1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426425535 489566920 /nfs/dbraw/zinc/56/69/20/489566920.db2.gz ZXQVKARGPGUIRG-CQSZACIVSA-N 2 2 370.457 1.389 50 0 FCAALP OCCNc1nc(NCc2c[nH+]c3ccccn23)cc([C@@H]2CCOC2)[nH+]1 ZINC000426563523 489575072 /nfs/dbraw/zinc/57/50/72/489575072.db2.gz YXHVXEFSVDTRSS-CYBMUJFWSA-N 2 2 354.414 0.488 50 0 FCAALP Nc1cc[nH+]cc1-c1cccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000426651467 489577967 /nfs/dbraw/zinc/57/79/67/489577967.db2.gz ZLBFNQDLLYGETN-UHFFFAOYSA-N 2 2 353.426 0.713 50 0 FCAALP Nc1cc[nH+]cc1-c1cccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000426651467 489577969 /nfs/dbraw/zinc/57/79/69/489577969.db2.gz ZLBFNQDLLYGETN-UHFFFAOYSA-N 2 2 353.426 0.713 50 0 FCAALP O=C(NCC[N@H+]1CCCC[C@H]1CO)C1([NH+]2CCOCC2)CCCCC1 ZINC000670443387 493568385 /nfs/dbraw/zinc/56/83/85/493568385.db2.gz DSDAIPSJHKNYJR-KRWDZBQOSA-N 2 2 353.507 0.985 50 0 FCAALP O=C(NCC[N@@H+]1CCCC[C@H]1CO)C1([NH+]2CCOCC2)CCCCC1 ZINC000670443387 493568387 /nfs/dbraw/zinc/56/83/87/493568387.db2.gz DSDAIPSJHKNYJR-KRWDZBQOSA-N 2 2 353.507 0.985 50 0 FCAALP NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000082114568 526882721 /nfs/dbraw/zinc/88/27/21/526882721.db2.gz MPMZIKVWCSXVGV-KRWDZBQOSA-N 2 2 374.485 0.407 50 0 FCAALP NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000082114568 526882724 /nfs/dbraw/zinc/88/27/24/526882724.db2.gz MPMZIKVWCSXVGV-KRWDZBQOSA-N 2 2 374.485 0.407 50 0 FCAALP CO[C@H]1C[C@@H](O)C12CCN(c1cc(N3CC[NH+](C)CC3)nc(N)[nH+]1)CC2 ZINC000091433976 536804774 /nfs/dbraw/zinc/80/47/74/536804774.db2.gz MYMDRWNGOQEVSZ-KGLIPLIRSA-N 2 2 362.478 0.177 50 0 FCAALP COc1cc(N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)nc(N)[nH+]1 ZINC000095364560 536829542 /nfs/dbraw/zinc/82/95/42/536829542.db2.gz XNJVTWKOHFLILL-GFCCVEGCSA-N 2 2 369.433 0.825 50 0 FCAALP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(N3CC(n4cccn4)C3)[nH+]cn2)C1 ZINC000685942796 571103302 /nfs/dbraw/zinc/10/33/02/571103302.db2.gz QMITVRKBCPBFDQ-HOCLYGCPSA-N 2 2 357.462 0.890 50 0 FCAALP COc1cc2[nH+]c(N3C[C@@H]4C[NH2+]C[C@@]4(C[NH+](C)C)C3)nc(N)c2cc1OC ZINC001772709882 1181699561 /nfs/dbraw/zinc/69/95/61/1181699561.db2.gz NZPGNXLVYZHWLB-HXPMCKFVSA-N 3 2 372.473 0.817 50 0 FCAALP CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000012711264 1212323390 /nfs/dbraw/zinc/32/33/90/1212323390.db2.gz GBIWRXLHETUQDE-INIZCTEOSA-N 2 2 368.522 0.450 50 0 FCAALP CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000012711264 1212323400 /nfs/dbraw/zinc/32/34/00/1212323400.db2.gz GBIWRXLHETUQDE-INIZCTEOSA-N 2 2 368.522 0.450 50 0 FCAALP C[C@@H](CC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000067886638 1216709655 /nfs/dbraw/zinc/70/96/55/1216709655.db2.gz UVWIAKMCMKLKNV-INIZCTEOSA-N 2 2 361.490 0.560 50 0 FCAALP COc1c(C)c[nH+]c(CNC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)c1C ZINC000077485686 1218622526 /nfs/dbraw/zinc/62/25/26/1218622526.db2.gz FXMDALGLGUTNOM-UHFFFAOYSA-N 2 2 373.461 0.134 50 0 FCAALP Cc1nc(N2CCC(Cn3cc(CN4CC[NH2+]CC4)nn3)CC2)cc[nH+]1 ZINC000023158740 1245291147 /nfs/dbraw/zinc/29/11/47/1245291147.db2.gz MTJMRYJZSNSLPB-UHFFFAOYSA-N 2 2 356.478 0.698 50 0 FCAALP CCOc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CC[NH+](CC)CC3)=[NH+]2)cc1 ZINC000005790803 204225680 /nfs/dbraw/zinc/22/56/80/204225680.db2.gz FLADRWREEAAIDJ-INIZCTEOSA-N 2 2 373.457 0.906 50 0 FCAALP O=C1CNC(=O)[C@@H]2C[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)CCN12 ZINC000065372906 205341883 /nfs/dbraw/zinc/34/18/83/205341883.db2.gz DAMFQVOGRDLYCE-SFHVURJKSA-N 2 2 356.470 0.336 50 0 FCAALP O=C1CNC(=O)[C@@H]2C[N@H+](C3CC[NH+](CCc4ccccc4)CC3)CCN12 ZINC000065372906 205341888 /nfs/dbraw/zinc/34/18/88/205341888.db2.gz DAMFQVOGRDLYCE-SFHVURJKSA-N 2 2 356.470 0.336 50 0 FCAALP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[NH+](CCOC)CC3)cnn2c1 ZINC000067817850 205395045 /nfs/dbraw/zinc/39/50/45/205395045.db2.gz KSKRLEKPXSNDDI-UHFFFAOYSA-N 2 2 374.489 0.975 50 0 FCAALP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C[C@H](C)O1 ZINC000237605599 206105060 /nfs/dbraw/zinc/10/50/60/206105060.db2.gz FRBRMLMRUCJYOV-IYBDPMFKSA-N 2 2 366.506 0.156 50 0 FCAALP C[C@@H]1C[N@H+](CCC2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C[C@H](C)O1 ZINC000237605599 206105065 /nfs/dbraw/zinc/10/50/65/206105065.db2.gz FRBRMLMRUCJYOV-IYBDPMFKSA-N 2 2 366.506 0.156 50 0 FCAALP O=S1(=O)C[C@@H]2[NH2+]CCN(c3cc[nH+]c(N4CCC(F)(F)CC4)n3)[C@@H]2C1 ZINC000077487690 132187097 /nfs/dbraw/zinc/18/70/97/132187097.db2.gz LZMKUKVIBXDFNL-NWDGAFQWSA-N 2 2 373.429 0.287 50 0 FCAALP CN(Cc1ccccc1)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077524350 132188785 /nfs/dbraw/zinc/18/87/85/132188785.db2.gz ACTBOCAPWVSZBL-JKSUJKDBSA-N 2 2 373.482 0.688 50 0 FCAALP O=C(C[NH+]1CCN(c2ncnc3c2CC[NH2+]CC3)CC1)N1CCCCC1 ZINC000072435802 136147264 /nfs/dbraw/zinc/14/72/64/136147264.db2.gz VIBWZCJZXYTFMP-UHFFFAOYSA-N 2 2 358.490 0.299 50 0 FCAALP Cc1[nH+]cn(CCNC(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)c1C ZINC000299764350 488872678 /nfs/dbraw/zinc/87/26/78/488872678.db2.gz UMTDTRHWDOPDSN-INIZCTEOSA-N 2 2 368.503 0.515 50 0 FCAALP COc1cccc(C[N@@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c1 ZINC000014541883 487573290 /nfs/dbraw/zinc/57/32/90/487573290.db2.gz XACWOGFIRQDXGM-DLBZAZTESA-N 2 2 360.458 0.335 50 0 FCAALP COc1cccc(C[N@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c1 ZINC000014541883 487573293 /nfs/dbraw/zinc/57/32/93/487573293.db2.gz XACWOGFIRQDXGM-DLBZAZTESA-N 2 2 360.458 0.335 50 0 FCAALP CN1CCc2c1[nH+]c1ccccc1c2NC(=O)CN1CC[NH+](CCO)CC1 ZINC000022576929 487622000 /nfs/dbraw/zinc/62/20/00/487622000.db2.gz YAEYIODLPQKZRD-UHFFFAOYSA-N 2 2 369.469 0.776 50 0 FCAALP C[NH+](C)CC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCOCC1)[C@@H]2O ZINC000023399200 487635176 /nfs/dbraw/zinc/63/51/76/487635176.db2.gz YSVOBTMSUBYLQI-UXHICEINSA-N 2 2 373.497 0.856 50 0 FCAALP NC(=O)CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071479608 488377158 /nfs/dbraw/zinc/37/71/58/488377158.db2.gz NSBCDSNZISQQMJ-KRWDZBQOSA-N 2 2 373.501 0.750 50 0 FCAALP NC(=O)CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071479608 488377159 /nfs/dbraw/zinc/37/71/59/488377159.db2.gz NSBCDSNZISQQMJ-KRWDZBQOSA-N 2 2 373.501 0.750 50 0 FCAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CC(O)C1 ZINC000071765508 488377345 /nfs/dbraw/zinc/37/73/45/488377345.db2.gz OUINYSPZVWCNFW-KRWDZBQOSA-N 2 2 358.486 0.961 50 0 FCAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CC(O)C1 ZINC000071765508 488377346 /nfs/dbraw/zinc/37/73/46/488377346.db2.gz OUINYSPZVWCNFW-KRWDZBQOSA-N 2 2 358.486 0.961 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000072423053 488380297 /nfs/dbraw/zinc/38/02/97/488380297.db2.gz SYHADOWZVFWNLN-OAHLLOKOSA-N 3 2 362.522 0.703 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000072423053 488380298 /nfs/dbraw/zinc/38/02/98/488380298.db2.gz SYHADOWZVFWNLN-OAHLLOKOSA-N 3 2 362.522 0.703 50 0 FCAALP COc1c[nH]c(C[N@@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)cc1=O ZINC000223625668 488449075 /nfs/dbraw/zinc/44/90/75/488449075.db2.gz UWONOZJLOWAJET-KRWDZBQOSA-N 2 2 361.446 0.993 50 0 FCAALP COc1c[nH]c(C[N@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)cc1=O ZINC000223625668 488449077 /nfs/dbraw/zinc/44/90/77/488449077.db2.gz UWONOZJLOWAJET-KRWDZBQOSA-N 2 2 361.446 0.993 50 0 FCAALP C[NH+]1CCN(C(=O)C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)CC1 ZINC000244641272 488460891 /nfs/dbraw/zinc/46/08/91/488460891.db2.gz GMQIFAUETDFHAL-UHFFFAOYSA-N 2 2 354.458 0.577 50 0 FCAALP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)CC1 ZINC000244641272 488460893 /nfs/dbraw/zinc/46/08/93/488460893.db2.gz GMQIFAUETDFHAL-UHFFFAOYSA-N 2 2 354.458 0.577 50 0 FCAALP Cc1[nH+]cn(CC(=O)N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)c1C ZINC000091892887 488471461 /nfs/dbraw/zinc/47/14/61/488471461.db2.gz ZGEKGTVPRAWIGZ-QZTJIDSGSA-N 2 2 363.506 0.204 50 0 FCAALP Cc1[nH+]cn(CC(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c1C ZINC000091892887 488471463 /nfs/dbraw/zinc/47/14/63/488471463.db2.gz ZGEKGTVPRAWIGZ-QZTJIDSGSA-N 2 2 363.506 0.204 50 0 FCAALP Cc1[nH+]cn(CC(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c1C ZINC000091892887 488471464 /nfs/dbraw/zinc/47/14/64/488471464.db2.gz ZGEKGTVPRAWIGZ-QZTJIDSGSA-N 2 2 363.506 0.204 50 0 FCAALP Cc1[nH+]cn(CC(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c1C ZINC000091892887 488471465 /nfs/dbraw/zinc/47/14/65/488471465.db2.gz ZGEKGTVPRAWIGZ-QZTJIDSGSA-N 2 2 363.506 0.204 50 0 FCAALP CN1C[C@@H]([NH3+])C[C@H]1C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095382161 488483040 /nfs/dbraw/zinc/48/30/40/488483040.db2.gz QZXRSZAVXDXUNZ-IRXDYDNUSA-N 3 2 362.522 0.572 50 0 FCAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000095385492 488483531 /nfs/dbraw/zinc/48/35/31/488483531.db2.gz SAENHHDFVIINOG-KRWDZBQOSA-N 3 2 363.506 0.919 50 0 FCAALP Cc1[nH+]c2cc(CNC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)ccc2n1C ZINC000095498699 488485361 /nfs/dbraw/zinc/48/53/61/488485361.db2.gz WHQQESDCXDPEIM-OAHLLOKOSA-N 2 2 357.458 0.908 50 0 FCAALP NC(=O)Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000095511501 488485806 /nfs/dbraw/zinc/48/58/06/488485806.db2.gz NSGFOKLRKKYEJO-INIZCTEOSA-N 2 2 355.442 0.864 50 0 FCAALP NC(=O)Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000095511501 488485808 /nfs/dbraw/zinc/48/58/08/488485808.db2.gz NSGFOKLRKKYEJO-INIZCTEOSA-N 2 2 355.442 0.864 50 0 FCAALP NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCCC2=CSC3=[NH+]CCCN23)C1 ZINC000102821946 488499164 /nfs/dbraw/zinc/49/91/64/488499164.db2.gz AAGAILBSQBGHJD-LBPRGKRZSA-N 2 2 351.476 0.340 50 0 FCAALP NC(=O)C[N@H+]1CCC[C@H](C(=O)NCCC2=CSC3=[NH+]CCCN23)C1 ZINC000102821946 488499165 /nfs/dbraw/zinc/49/91/65/488499165.db2.gz AAGAILBSQBGHJD-LBPRGKRZSA-N 2 2 351.476 0.340 50 0 FCAALP NC(=O)C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000262644354 488584044 /nfs/dbraw/zinc/58/40/44/488584044.db2.gz TUUTYZHOMLOSIU-WMZOPIPTSA-N 2 2 369.469 0.915 50 0 FCAALP Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000426578866 489575712 /nfs/dbraw/zinc/57/57/12/489575712.db2.gz SVTGUFMYPWMEDC-GOSISDBHSA-N 2 2 367.453 0.924 50 0 FCAALP Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000426578866 489575715 /nfs/dbraw/zinc/57/57/15/489575715.db2.gz SVTGUFMYPWMEDC-GOSISDBHSA-N 2 2 367.453 0.924 50 0 FCAALP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCCC3)[C@H](O)C2)cs1 ZINC000426615061 489576860 /nfs/dbraw/zinc/57/68/60/489576860.db2.gz GLIRJWRMBGGEHH-HZPDHXFCSA-N 2 2 352.504 0.989 50 0 FCAALP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCCC3)[C@H](O)C2)cs1 ZINC000426615061 489576862 /nfs/dbraw/zinc/57/68/62/489576862.db2.gz GLIRJWRMBGGEHH-HZPDHXFCSA-N 2 2 352.504 0.989 50 0 FCAALP Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1[nH+]ccn1C ZINC000426730610 489581298 /nfs/dbraw/zinc/58/12/98/489581298.db2.gz YHBQTZOYTVXXTP-QGZVFWFLSA-N 2 2 369.469 0.778 50 0 FCAALP Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1[nH+]ccn1C ZINC000426730610 489581301 /nfs/dbraw/zinc/58/13/01/489581301.db2.gz YHBQTZOYTVXXTP-QGZVFWFLSA-N 2 2 369.469 0.778 50 0 FCAALP CNc1cc(-c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)[nH+]c(N)n1 ZINC000534670905 490397735 /nfs/dbraw/zinc/39/77/35/490397735.db2.gz HTGAFOMOFIRVQQ-UHFFFAOYSA-N 2 2 356.430 0.251 50 0 FCAALP C[C@@H](NC(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1)c1nnc(N)s1 ZINC000670451713 493569177 /nfs/dbraw/zinc/56/91/77/493569177.db2.gz KOTLUWLVJAITKA-GFCCVEGCSA-N 2 2 367.523 0.993 50 0 FCAALP C[C@@H](NC(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1)c1nnc(N)s1 ZINC000670451713 493569180 /nfs/dbraw/zinc/56/91/80/493569180.db2.gz KOTLUWLVJAITKA-GFCCVEGCSA-N 2 2 367.523 0.993 50 0 FCAALP Cc1cccc(N2CC[NH+](CC(=O)N3C[C@H](CO)[C@H](C[NH+](C)C)C3)CC2)c1 ZINC000091288941 524551757 /nfs/dbraw/zinc/55/17/57/524551757.db2.gz PSPBFGWIXMUSMT-RTBURBONSA-N 2 2 374.529 0.746 50 0 FCAALP CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)cc1CO ZINC000023361285 1181481814 /nfs/dbraw/zinc/48/18/14/1181481814.db2.gz MFXALXBBJUUNOC-RTBURBONSA-N 2 2 363.502 0.760 50 0 FCAALP CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)cc1CO ZINC000023361285 1181481824 /nfs/dbraw/zinc/48/18/24/1181481824.db2.gz MFXALXBBJUUNOC-RTBURBONSA-N 2 2 363.502 0.760 50 0 FCAALP C[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000221408521 1203264581 /nfs/dbraw/zinc/26/45/81/1203264581.db2.gz BVDVMDVXHRPBFF-KRWDZBQOSA-N 2 2 358.490 0.684 50 0 FCAALP C[NH+]1CCC([N@H+]2CCC[C@H]2C(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000221408521 1203264586 /nfs/dbraw/zinc/26/45/86/1203264586.db2.gz BVDVMDVXHRPBFF-KRWDZBQOSA-N 2 2 358.490 0.684 50 0 FCAALP OC[C@H](O)C[N@@H+]1CCOC2(CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000828655367 836542794 /nfs/dbraw/zinc/54/27/94/836542794.db2.gz YOANWKIDUVFJII-OAHLLOKOSA-N 2 2 356.413 0.985 50 0 FCAALP OC[C@H](O)C[N@H+]1CCOC2(CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000828655367 836542801 /nfs/dbraw/zinc/54/28/01/836542801.db2.gz YOANWKIDUVFJII-OAHLLOKOSA-N 2 2 356.413 0.985 50 0 FCAALP C[NH+](C)[C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3CO)CC2)C1 ZINC000055090694 205206820 /nfs/dbraw/zinc/20/68/20/205206820.db2.gz XXBYVLJGADXPNY-IBGZPJMESA-N 2 2 360.502 0.459 50 0 FCAALP C[NH+](C)[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3CO)CC2)C1 ZINC000055090689 205207287 /nfs/dbraw/zinc/20/72/87/205207287.db2.gz XXBYVLJGADXPNY-LJQANCHMSA-N 2 2 360.502 0.459 50 0 FCAALP Cc1cc(N2C[C@H]3OC(=O)N(CCC[NH+]4CCOCC4)[C@H]3C2)nc(N)[nH+]1 ZINC000067773016 205391231 /nfs/dbraw/zinc/39/12/31/205391231.db2.gz VXXWZMJPLSJDHB-UONOGXRCSA-N 2 2 362.434 0.099 50 0 FCAALP C[C@@H]1C[NH+](CCC2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C[C@@H](C)O1 ZINC000237400947 206101984 /nfs/dbraw/zinc/10/19/84/206101984.db2.gz FRBRMLMRUCJYOV-HZPDHXFCSA-N 2 2 366.506 0.156 50 0 FCAALP C[N@@H+]1CCN(Cc2ccccc2OCC[NH+]2CCOCC2)C[C@@H]1CCO ZINC000215547925 206348056 /nfs/dbraw/zinc/34/80/56/206348056.db2.gz GRJGYEDQKHNHSN-IBGZPJMESA-N 2 2 363.502 0.896 50 0 FCAALP C[N@H+]1CCN(Cc2ccccc2OCC[NH+]2CCOCC2)C[C@@H]1CCO ZINC000215547925 206348061 /nfs/dbraw/zinc/34/80/61/206348061.db2.gz GRJGYEDQKHNHSN-IBGZPJMESA-N 2 2 363.502 0.896 50 0 FCAALP CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)C[N@@H+]1C ZINC000091754804 132203790 /nfs/dbraw/zinc/20/37/90/132203790.db2.gz NPYQHEGQMRSOTA-WMZOPIPTSA-N 2 2 373.501 0.377 50 0 FCAALP CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)C[N@H+]1C ZINC000091754804 132203791 /nfs/dbraw/zinc/20/37/91/132203791.db2.gz NPYQHEGQMRSOTA-WMZOPIPTSA-N 2 2 373.501 0.377 50 0 FCAALP Nc1cc(N2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)nc[nH+]1 ZINC000071712109 136139725 /nfs/dbraw/zinc/13/97/25/136139725.db2.gz ZBUXAJXCMMMDNW-IAGOWNOFSA-N 2 2 372.448 0.960 50 0 FCAALP Nc1cc(N2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)[nH+]cn1 ZINC000071712109 136139726 /nfs/dbraw/zinc/13/97/26/136139726.db2.gz ZBUXAJXCMMMDNW-IAGOWNOFSA-N 2 2 372.448 0.960 50 0 FCAALP Nc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)[nH+]cn1 ZINC000071762974 136140720 /nfs/dbraw/zinc/14/07/20/136140720.db2.gz UJKDBJFLCGNLEL-OAHLLOKOSA-N 2 2 374.489 0.598 50 0 FCAALP Nc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)[nH+]cn1 ZINC000071762974 136140721 /nfs/dbraw/zinc/14/07/21/136140721.db2.gz UJKDBJFLCGNLEL-OAHLLOKOSA-N 2 2 374.489 0.598 50 0 FCAALP Cc1ccc(C[N@@H+]2CCN(c3cc(NCCO)[nH+]cn3)C[C@@H]2CCO)o1 ZINC000072434790 136147293 /nfs/dbraw/zinc/14/72/93/136147293.db2.gz QIFWUFAVBVLXIU-HNNXBMFYSA-N 2 2 361.446 0.855 50 0 FCAALP Cc1ccc(C[N@H+]2CCN(c3cc(NCCO)[nH+]cn3)C[C@@H]2CCO)o1 ZINC000072434790 136147294 /nfs/dbraw/zinc/14/72/94/136147294.db2.gz QIFWUFAVBVLXIU-HNNXBMFYSA-N 2 2 361.446 0.855 50 0 FCAALP [NH3+]Cc1cn(C[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1 ZINC000023505328 136153001 /nfs/dbraw/zinc/15/30/01/136153001.db2.gz NSIJYFQIQRWHHA-CQSZACIVSA-N 2 2 358.450 0.280 50 0 FCAALP [NH3+]Cc1cn(C[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000023505328 136153002 /nfs/dbraw/zinc/15/30/02/136153002.db2.gz NSIJYFQIQRWHHA-CQSZACIVSA-N 2 2 358.450 0.280 50 0 FCAALP O=C(CC[NH+]1CCC2(CC1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000026936044 136153425 /nfs/dbraw/zinc/15/34/25/136153425.db2.gz KKDSUOAHHLHZDW-UHFFFAOYSA-N 2 2 360.458 0.959 50 0 FCAALP COCCN(C)c1nc(-c2ccncc2)nc2c1CC[N@H+](CC[NH3+])CC2 ZINC000072422349 488380291 /nfs/dbraw/zinc/38/02/91/488380291.db2.gz JXXAPJRJECGZBC-UHFFFAOYSA-N 2 2 356.474 0.981 50 0 FCAALP COCCN(C)c1nc(-c2ccncc2)nc2c1CC[N@@H+](CC[NH3+])CC2 ZINC000072422349 488380292 /nfs/dbraw/zinc/38/02/92/488380292.db2.gz JXXAPJRJECGZBC-UHFFFAOYSA-N 2 2 356.474 0.981 50 0 FCAALP CNC(=O)CC[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072424928 488380491 /nfs/dbraw/zinc/38/04/91/488380491.db2.gz RRIXGSNEGOWEDU-AWEZNQCLSA-N 2 2 364.494 0.087 50 0 FCAALP CNC(=O)CC[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072424928 488380492 /nfs/dbraw/zinc/38/04/92/488380492.db2.gz RRIXGSNEGOWEDU-AWEZNQCLSA-N 2 2 364.494 0.087 50 0 FCAALP c1ccc(-c2nc3c(c(NCC[NH+]4CCOCC4)n2)CC[NH2+]CC3)nc1 ZINC000072429247 488380794 /nfs/dbraw/zinc/38/07/94/488380794.db2.gz IGTRRLRMMVASSP-UHFFFAOYSA-N 2 2 354.458 0.971 50 0 FCAALP CCNC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072433823 488381001 /nfs/dbraw/zinc/38/10/01/488381001.db2.gz VIWXLYNGQQFXSO-CQSZACIVSA-N 2 2 364.494 0.087 50 0 FCAALP CCNC(=O)C[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072433823 488381002 /nfs/dbraw/zinc/38/10/02/488381002.db2.gz VIWXLYNGQQFXSO-CQSZACIVSA-N 2 2 364.494 0.087 50 0 FCAALP CN(C)C(=O)C[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1 ZINC000077302492 488410474 /nfs/dbraw/zinc/41/04/74/488410474.db2.gz NMCDYENMFDACPC-UHFFFAOYSA-N 2 2 364.494 0.039 50 0 FCAALP Cc1ncc(C[NH+]2CCC(c3nnc(C[N@H+](C)CCO)n3C)CC2)cn1 ZINC000077516229 488414826 /nfs/dbraw/zinc/41/48/26/488414826.db2.gz RXXSVFCFPXJOEF-UHFFFAOYSA-N 2 2 359.478 0.717 50 0 FCAALP Cc1ncc(C[NH+]2CCC(c3nnc(C[N@@H+](C)CCO)n3C)CC2)cn1 ZINC000077516229 488414829 /nfs/dbraw/zinc/41/48/29/488414829.db2.gz RXXSVFCFPXJOEF-UHFFFAOYSA-N 2 2 359.478 0.717 50 0 FCAALP C[NH+](C)C[C@H](O)c1cc2n(n1)CCN(C(=O)C1(Cn3cc[nH+]c3)CC1)C2 ZINC000222513466 488446760 /nfs/dbraw/zinc/44/67/60/488446760.db2.gz JUHUKWPMSSQDKQ-INIZCTEOSA-N 2 2 358.446 0.497 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000283015342 489206651 /nfs/dbraw/zinc/20/66/51/489206651.db2.gz PUJKDHPQVFJFPX-ZWKOTPCHSA-N 2 2 355.442 0.972 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000283015342 489206656 /nfs/dbraw/zinc/20/66/56/489206656.db2.gz PUJKDHPQVFJFPX-ZWKOTPCHSA-N 2 2 355.442 0.972 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000283015342 489206661 /nfs/dbraw/zinc/20/66/61/489206661.db2.gz PUJKDHPQVFJFPX-ZWKOTPCHSA-N 2 2 355.442 0.972 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000283015342 489206667 /nfs/dbraw/zinc/20/66/67/489206667.db2.gz PUJKDHPQVFJFPX-ZWKOTPCHSA-N 2 2 355.442 0.972 50 0 FCAALP CN(CCCc1[nH+]ccn1C)c1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426628889 489577890 /nfs/dbraw/zinc/57/78/90/489577890.db2.gz WEJZTCMFIMBYGC-AWEZNQCLSA-N 2 2 372.473 0.964 50 0 FCAALP [NH3+]CCOc1cccc(C(=O)N2CCCO[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000426677931 489579576 /nfs/dbraw/zinc/57/95/76/489579576.db2.gz YPNQHTRONCFKGB-SFHVURJKSA-N 2 2 363.458 0.587 50 0 FCAALP Cc1ccc[nH+]c1N1CCN(C(=O)NCC[NH+]2CCC(CO)CC2)CC1 ZINC000534588835 490385259 /nfs/dbraw/zinc/38/52/59/490385259.db2.gz CWCRGHJWDYPULK-UHFFFAOYSA-N 2 2 361.490 0.926 50 0 FCAALP CCN(CC)c1nc(N)cc(-c2cccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)c2)[nH+]1 ZINC000534590022 490386257 /nfs/dbraw/zinc/38/62/57/490386257.db2.gz HAGGLRDVSBZGTD-HZPDHXFCSA-N 2 2 370.457 0.635 50 0 FCAALP C[NH+](C)[C@@H](C(=O)NCc1cc2n(n1)CC[NH2+]C2)c1ccc2c(c1)OCO2 ZINC000082161808 522004724 /nfs/dbraw/zinc/00/47/24/522004724.db2.gz IDNAGEWTRIAQKM-QGZVFWFLSA-N 2 2 357.414 0.634 50 0 FCAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(c2cc3nncn3c(N)[nH+]2)C1 ZINC000072422479 536064694 /nfs/dbraw/zinc/06/46/94/536064694.db2.gz FFNKDAKGPDVELP-LLVKDONJSA-N 2 2 356.438 0.281 50 0 FCAALP CCc1cc(N2CCC([NH+]3CCN(S(N)(=O)=O)CC3)CC2)nc(C)[nH+]1 ZINC000096136768 536145117 /nfs/dbraw/zinc/14/51/17/536145117.db2.gz BHLPBOVQBDNOBV-UHFFFAOYSA-N 2 2 368.507 0.137 50 0 FCAALP CCC[NH+]1CCC2(CC1)CN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC)CCO2 ZINC000822921180 1245319335 /nfs/dbraw/zinc/31/93/35/1245319335.db2.gz OAUDLCXEEGQGBP-MRXNPFEDSA-N 2 2 366.506 0.300 50 0 FCAALP CCC[NH+]1CCC2(CC1)CN(C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC)CCO2 ZINC000822921180 1245319339 /nfs/dbraw/zinc/31/93/39/1245319339.db2.gz OAUDLCXEEGQGBP-MRXNPFEDSA-N 2 2 366.506 0.300 50 0 FCAALP CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCC1CC[NH+](Cc2ccoc2)CC1 ZINC000823117533 1245319661 /nfs/dbraw/zinc/31/96/61/1245319661.db2.gz IYPAKFCJUVQNTR-KRWDZBQOSA-N 2 2 362.474 0.818 50 0 FCAALP CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCC1CC[NH+](Cc2ccoc2)CC1 ZINC000823117533 1245319664 /nfs/dbraw/zinc/31/96/64/1245319664.db2.gz IYPAKFCJUVQNTR-KRWDZBQOSA-N 2 2 362.474 0.818 50 0 FCAALP C[NH+]1CCC2(CC1)CN(c1nccc(N3CCC[C@H](O)C3)n1)CC[N@@H+]2C ZINC001704344465 1286231237 /nfs/dbraw/zinc/23/12/37/1286231237.db2.gz ODKVLZONQAYYQW-INIZCTEOSA-N 2 2 360.506 0.654 50 0 FCAALP C[NH+]1CCC2(CC1)CN(c1nccc(N3CCC[C@H](O)C3)n1)CC[N@H+]2C ZINC001704344465 1286231244 /nfs/dbraw/zinc/23/12/44/1286231244.db2.gz ODKVLZONQAYYQW-INIZCTEOSA-N 2 2 360.506 0.654 50 0 FCAALP Cc1ccc([C@H]2CN(C(=O)C[NH+]3CCN(c4ncccn4)CC3)C[C@@H]2[NH3+])o1 ZINC000091845432 132204545 /nfs/dbraw/zinc/20/45/45/132204545.db2.gz RDLIKFCNVMDZHW-HOTGVXAUSA-N 2 2 370.457 0.453 50 0 FCAALP C[NH+]1CCC[N@@H+](C)CC12CCN(c1cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n1)CC2 ZINC000244724748 132290652 /nfs/dbraw/zinc/29/06/52/132290652.db2.gz MZZRDADRVZRSMR-GASCZTMLSA-N 3 2 359.522 0.870 50 0 FCAALP C[NH+]1CCC[N@H+](C)CC12CCN(c1cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n1)CC2 ZINC000244724748 132290653 /nfs/dbraw/zinc/29/06/53/132290653.db2.gz MZZRDADRVZRSMR-GASCZTMLSA-N 3 2 359.522 0.870 50 0 FCAALP C[NH+]1CCC[N@H+](C)C2(CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)nc(N)n3)CC2)C1 ZINC000244724748 132290654 /nfs/dbraw/zinc/29/06/54/132290654.db2.gz MZZRDADRVZRSMR-GASCZTMLSA-N 3 2 359.522 0.870 50 0 FCAALP C[NH+]1CCC[N@@H+](C)C2(CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)nc(N)n3)CC2)C1 ZINC000244724748 132290655 /nfs/dbraw/zinc/29/06/55/132290655.db2.gz MZZRDADRVZRSMR-GASCZTMLSA-N 3 2 359.522 0.870 50 0 FCAALP Cc1cc(N2CCN(C(=O)C[N@@H+](C)Cc3cccnc3)CC2)nc(N)[nH+]1 ZINC000299785895 132299936 /nfs/dbraw/zinc/29/99/36/132299936.db2.gz MBMPBXQYJBEPIP-UHFFFAOYSA-N 2 2 355.446 0.543 50 0 FCAALP Cc1cc(N2CCN(C(=O)C[N@H+](C)Cc3cccnc3)CC2)nc(N)[nH+]1 ZINC000299785895 132299937 /nfs/dbraw/zinc/29/99/37/132299937.db2.gz MBMPBXQYJBEPIP-UHFFFAOYSA-N 2 2 355.446 0.543 50 0 FCAALP CC[NH+]1CCN(C2=[NH+][C@H](C(=O)Nc3cccc(OC)c3)CC(=O)N2)CC1 ZINC000019528117 487604241 /nfs/dbraw/zinc/60/42/41/487604241.db2.gz YYZOZNNSHDILKH-HNNXBMFYSA-N 2 2 359.430 0.516 50 0 FCAALP COc1cccc(C[NH2+]CCCO)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000023338462 487633840 /nfs/dbraw/zinc/63/38/40/487633840.db2.gz DBFLLQUGWQIFCE-INIZCTEOSA-N 2 2 354.447 0.239 50 0 FCAALP C[C@H]([NH3+])C(=O)N1CCC(Cn2cc(C[NH+]3CCSCC3)nn2)CC1 ZINC000023478642 487636639 /nfs/dbraw/zinc/63/66/39/487636639.db2.gz WQSORBFTNUIIRV-ZDUSSCGKSA-N 2 2 352.508 0.413 50 0 FCAALP Cn1ncc2c1nc[nH+]c2NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000032760693 487783116 /nfs/dbraw/zinc/78/31/16/487783116.db2.gz LUWREZNOCXATPD-UHFFFAOYSA-N 2 2 353.434 0.778 50 0 FCAALP [NH3+]C1CN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)C1 ZINC000071752569 488377299 /nfs/dbraw/zinc/37/72/99/488377299.db2.gz FNGVTCLKVIKQDG-QGZVFWFLSA-N 3 2 357.502 0.928 50 0 FCAALP [NH3+]C1CN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)C1 ZINC000071752569 488377300 /nfs/dbraw/zinc/37/73/00/488377300.db2.gz FNGVTCLKVIKQDG-QGZVFWFLSA-N 3 2 357.502 0.928 50 0 FCAALP CCCc1nc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CC[NH+](C)CC2)cs1 ZINC000072143917 488378131 /nfs/dbraw/zinc/37/81/31/488378131.db2.gz CTAVSXVDRVTOIJ-CQSZACIVSA-N 2 2 365.503 0.284 50 0 FCAALP COc1cccc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CC[NH+](C)CC2)c1C ZINC000072143902 488378158 /nfs/dbraw/zinc/37/81/58/488378158.db2.gz BHTDVUYWLQFOTB-INIZCTEOSA-N 2 2 360.458 0.192 50 0 FCAALP Cc1ccc(C2(C(=O)N3CC[NH2+]C[C@@H]3C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000072149273 488378360 /nfs/dbraw/zinc/37/83/60/488378360.db2.gz VBRWXYNAZUUPQD-GOSISDBHSA-N 2 2 370.497 0.601 50 0 FCAALP CNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072166293 488379042 /nfs/dbraw/zinc/37/90/42/488379042.db2.gz JNMYEVIVFGQDGA-QGZVFWFLSA-N 2 2 374.485 0.743 50 0 FCAALP CNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072166293 488379043 /nfs/dbraw/zinc/37/90/43/488379043.db2.gz JNMYEVIVFGQDGA-QGZVFWFLSA-N 2 2 374.485 0.743 50 0 FCAALP CCCc1cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CC[NH+](C)CC2)ccn1 ZINC000072169870 488379330 /nfs/dbraw/zinc/37/93/30/488379330.db2.gz UKVFSKSRFRCTNY-KRWDZBQOSA-N 2 2 359.474 0.222 50 0 FCAALP CCOCC[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072407468 488380066 /nfs/dbraw/zinc/38/00/66/488380066.db2.gz ZSEPGSAENKIEDI-HNNXBMFYSA-N 2 2 351.495 0.988 50 0 FCAALP CCOCC[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072407468 488380067 /nfs/dbraw/zinc/38/00/67/488380067.db2.gz ZSEPGSAENKIEDI-HNNXBMFYSA-N 2 2 351.495 0.988 50 0 FCAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077287437 488409883 /nfs/dbraw/zinc/40/98/83/488409883.db2.gz FXZZYGTZTKBKCV-MRXNPFEDSA-N 2 2 374.493 0.225 50 0 FCAALP CCNC(=O)C[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1 ZINC000077408098 488412460 /nfs/dbraw/zinc/41/24/60/488412460.db2.gz MMMAGQDKTOXKND-UHFFFAOYSA-N 2 2 364.494 0.087 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000077486795 488414352 /nfs/dbraw/zinc/41/43/52/488414352.db2.gz FWLTWLLFSKEIDT-UHFFFAOYSA-N 2 2 364.494 0.215 50 0 FCAALP Cc1cc(N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)nc(N(C)C)[nH+]1 ZINC000091873053 488471342 /nfs/dbraw/zinc/47/13/42/488471342.db2.gz DHFWQXSBHAIFTL-IAGOWNOFSA-N 2 2 362.522 0.533 50 0 FCAALP Cc1cc(N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)nc(N(C)C)[nH+]1 ZINC000091873053 488471343 /nfs/dbraw/zinc/47/13/43/488471343.db2.gz DHFWQXSBHAIFTL-IAGOWNOFSA-N 2 2 362.522 0.533 50 0 FCAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000095366201 488481521 /nfs/dbraw/zinc/48/15/21/488481521.db2.gz OYJZUZHTTPHYSL-QGZVFWFLSA-N 2 2 363.506 0.873 50 0 FCAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)CN2CCOC2=O)CC1 ZINC000095382765 488482978 /nfs/dbraw/zinc/48/29/78/488482978.db2.gz YDNMUMWCSSYMCL-UHFFFAOYSA-N 2 2 363.462 0.993 50 0 FCAALP NC(=O)Cn1cc[nH+]c1C1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000095529618 488486979 /nfs/dbraw/zinc/48/69/79/488486979.db2.gz SXYRYPAYOPIEEI-ZBFHGGJFSA-N 2 2 359.474 0.949 50 0 FCAALP NC(=O)Cn1cc[nH+]c1C1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000095529618 488486981 /nfs/dbraw/zinc/48/69/81/488486981.db2.gz SXYRYPAYOPIEEI-ZBFHGGJFSA-N 2 2 359.474 0.949 50 0 FCAALP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)CC12CC[NH2+]CC2 ZINC000095526498 488487152 /nfs/dbraw/zinc/48/71/52/488487152.db2.gz MOVLBNAOODFIRX-QGZVFWFLSA-N 2 2 371.485 0.326 50 0 FCAALP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)CC12CC[NH2+]CC2 ZINC000095526498 488487154 /nfs/dbraw/zinc/48/71/54/488487154.db2.gz MOVLBNAOODFIRX-QGZVFWFLSA-N 2 2 371.485 0.326 50 0 FCAALP c1snnc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182189518 488864094 /nfs/dbraw/zinc/86/40/94/488864094.db2.gz FUOOXYZPFPMHOM-ZDUSSCGKSA-N 2 2 361.475 0.923 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H](CO)Cc1ccco1)CC[N@@H+]2C ZINC000670439701 493567698 /nfs/dbraw/zinc/56/76/98/493567698.db2.gz HKCNINXTEFPKON-INIZCTEOSA-N 2 2 364.490 0.852 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H](CO)Cc1ccco1)CC[N@H+]2C ZINC000670439701 493567700 /nfs/dbraw/zinc/56/77/00/493567700.db2.gz HKCNINXTEFPKON-INIZCTEOSA-N 2 2 364.490 0.852 50 0 FCAALP CCc1[nH+]ccn1CC(=O)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091708199 522581234 /nfs/dbraw/zinc/58/12/34/522581234.db2.gz SLUFQUZIDFVIMB-CVEARBPZSA-N 2 2 350.463 0.235 50 0 FCAALP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CC[NH+](CCn2cncn2)CC1 ZINC000091416892 526684186 /nfs/dbraw/zinc/68/41/86/526684186.db2.gz WZVSDJOCGBEEOP-UHFFFAOYSA-N 2 2 355.402 0.574 50 0 FCAALP CCN(C)c1cc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)nc[nH+]1 ZINC000095392001 527866022 /nfs/dbraw/zinc/86/60/22/527866022.db2.gz TXZLJOCSQBLQDF-IAGOWNOFSA-N 2 2 363.506 0.682 50 0 FCAALP CCN(C)c1cc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)[nH+]cn1 ZINC000095392001 527866031 /nfs/dbraw/zinc/86/60/31/527866031.db2.gz TXZLJOCSQBLQDF-IAGOWNOFSA-N 2 2 363.506 0.682 50 0 FCAALP Cc1cnc(C(=O)N2C[C@@H]3C[N@@H+](CCc4[nH+]ccn4C)C[C@@]3(CO)C2)cn1 ZINC001772700828 1181650872 /nfs/dbraw/zinc/65/08/72/1181650872.db2.gz FENCSTRWGXLQBI-KXBFYZLASA-N 2 2 370.457 0.128 50 0 FCAALP Cc1cnc(C(=O)N2C[C@@H]3C[N@H+](CCc4[nH+]ccn4C)C[C@@]3(CO)C2)cn1 ZINC001772700828 1181650878 /nfs/dbraw/zinc/65/08/78/1181650878.db2.gz FENCSTRWGXLQBI-KXBFYZLASA-N 2 2 370.457 0.128 50 0 FCAALP Nc1nc2c(c(N3CC[N@H+](Cc4ccco4)[C@@H](CCO)C3)n1)CC[NH2+]C2 ZINC000071479652 1216812521 /nfs/dbraw/zinc/81/25/21/1216812521.db2.gz SIESNUUXOFZEAK-ZDUSSCGKSA-N 2 2 358.446 0.371 50 0 FCAALP Nc1nc2c(c(N3CC[N@@H+](Cc4ccco4)[C@@H](CCO)C3)n1)CC[NH2+]C2 ZINC000071479652 1216812522 /nfs/dbraw/zinc/81/25/22/1216812522.db2.gz SIESNUUXOFZEAK-ZDUSSCGKSA-N 2 2 358.446 0.371 50 0 FCAALP O=C1NCCN2CC[N@H+](Cc3cccc(OCCCn4cc[nH+]c4)c3)C[C@@H]12 ZINC001704347836 1286230866 /nfs/dbraw/zinc/23/08/66/1286230866.db2.gz POMKXGQFECTBKC-IBGZPJMESA-N 2 2 369.469 0.968 50 0 FCAALP O=C1NCCN2CC[N@@H+](Cc3cccc(OCCCn4cc[nH+]c4)c3)C[C@@H]12 ZINC001704347836 1286230873 /nfs/dbraw/zinc/23/08/73/1286230873.db2.gz POMKXGQFECTBKC-IBGZPJMESA-N 2 2 369.469 0.968 50 0 FCAALP O=C1C[N@H+](CCCNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)CCN1 ZINC000067855612 205397790 /nfs/dbraw/zinc/39/77/90/205397790.db2.gz IMSBDHHCTMHGQY-UHFFFAOYSA-N 2 2 367.457 0.418 50 0 FCAALP O=C1C[N@@H+](CCCNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)CCN1 ZINC000067855612 205397792 /nfs/dbraw/zinc/39/77/92/205397792.db2.gz IMSBDHHCTMHGQY-UHFFFAOYSA-N 2 2 367.457 0.418 50 0 FCAALP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(c2cc(N)[nH+]cn2)CC1 ZINC000096147797 132220479 /nfs/dbraw/zinc/22/04/79/132220479.db2.gz VAPXMIZJBUDUMG-UHFFFAOYSA-N 2 2 371.493 0.319 50 0 FCAALP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(c2cc(N)nc[nH+]2)CC1 ZINC000096147797 132220480 /nfs/dbraw/zinc/22/04/80/132220480.db2.gz VAPXMIZJBUDUMG-UHFFFAOYSA-N 2 2 371.493 0.319 50 0 FCAALP OCCNc1cc(N2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)nc[nH+]1 ZINC000107002213 132266479 /nfs/dbraw/zinc/26/64/79/132266479.db2.gz KGILBOCDMDKBMT-QGZVFWFLSA-N 2 2 357.458 0.954 50 0 FCAALP OCCNc1cc(N2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)nc[nH+]1 ZINC000107002213 132266480 /nfs/dbraw/zinc/26/64/80/132266480.db2.gz KGILBOCDMDKBMT-QGZVFWFLSA-N 2 2 357.458 0.954 50 0 FCAALP Nc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nc(N)[nH+]1 ZINC000071774981 136141109 /nfs/dbraw/zinc/14/11/09/136141109.db2.gz UPKFXMRGSGXIRS-AWEZNQCLSA-N 2 2 373.505 0.944 50 0 FCAALP Nc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nc(N)[nH+]1 ZINC000071774981 136141110 /nfs/dbraw/zinc/14/11/10/136141110.db2.gz UPKFXMRGSGXIRS-AWEZNQCLSA-N 2 2 373.505 0.944 50 0 FCAALP Nc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)[nH+]c(N)n1 ZINC000071774981 136141111 /nfs/dbraw/zinc/14/11/11/136141111.db2.gz UPKFXMRGSGXIRS-AWEZNQCLSA-N 2 2 373.505 0.944 50 0 FCAALP Nc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)[nH+]c(N)n1 ZINC000071774981 136141112 /nfs/dbraw/zinc/14/11/12/136141112.db2.gz UPKFXMRGSGXIRS-AWEZNQCLSA-N 2 2 373.505 0.944 50 0 FCAALP Cc1cc(N2CC[NH+](Cc3cc4n(n3)CCC[NH2+]C4)CC2)n2ncnc2n1 ZINC000072157935 136143052 /nfs/dbraw/zinc/14/30/52/136143052.db2.gz YJUIBBRFCTZEIK-UHFFFAOYSA-N 2 2 367.461 0.445 50 0 FCAALP CC(C)[N@H+](C)Cc1nnnn1CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000012575165 487555872 /nfs/dbraw/zinc/55/58/72/487555872.db2.gz REFNGOKKPSCCTG-UHFFFAOYSA-N 2 2 351.499 0.846 50 0 FCAALP CC(C)[N@@H+](C)Cc1nnnn1CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000012575165 487555876 /nfs/dbraw/zinc/55/58/76/487555876.db2.gz REFNGOKKPSCCTG-UHFFFAOYSA-N 2 2 351.499 0.846 50 0 FCAALP COc1ccccc1C[N@@H+]1CCN2C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]2C1 ZINC000014741301 487573763 /nfs/dbraw/zinc/57/37/63/487573763.db2.gz OULMGYKJDYWUBB-JKSUJKDBSA-N 2 2 360.458 0.335 50 0 FCAALP COc1ccccc1C[N@H+]1CCN2C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]2C1 ZINC000014741301 487573774 /nfs/dbraw/zinc/57/37/74/487573774.db2.gz OULMGYKJDYWUBB-JKSUJKDBSA-N 2 2 360.458 0.335 50 0 FCAALP CC[NH+]1CCN(c2nc(NCC[NH+]3CCOCC3)nc3c2cnn3C)CC1 ZINC000021930081 487618861 /nfs/dbraw/zinc/61/88/61/487618861.db2.gz LMPVNQYELSICJJ-UHFFFAOYSA-N 2 2 374.493 0.249 50 0 FCAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000049762691 488101222 /nfs/dbraw/zinc/10/12/22/488101222.db2.gz XCYZOFLKXOWSJY-GJZGRUSLSA-N 2 2 362.405 0.779 50 0 FCAALP CNC(=O)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071498080 488377103 /nfs/dbraw/zinc/37/71/03/488377103.db2.gz JXLTUFXEWVSSGH-QGZVFWFLSA-N 2 2 373.501 0.620 50 0 FCAALP CNC(=O)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071498080 488377104 /nfs/dbraw/zinc/37/71/04/488377104.db2.gz JXLTUFXEWVSSGH-QGZVFWFLSA-N 2 2 373.501 0.620 50 0 FCAALP COc1cccc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CC[NH+](C)CC2)c1C ZINC000072143900 488378031 /nfs/dbraw/zinc/37/80/31/488378031.db2.gz BHTDVUYWLQFOTB-MRXNPFEDSA-N 2 2 360.458 0.192 50 0 FCAALP Cc1c(C[N@@H+]2CCO[C@]3(C2)C[NH2+]CCOC3)c2ccccc2n1CC(N)=O ZINC000072150405 488378345 /nfs/dbraw/zinc/37/83/45/488378345.db2.gz IJDSTEANRSVHQA-FQEVSTJZSA-N 2 2 372.469 0.626 50 0 FCAALP Cc1c(C[N@H+]2CCO[C@]3(C2)C[NH2+]CCOC3)c2ccccc2n1CC(N)=O ZINC000072150405 488378346 /nfs/dbraw/zinc/37/83/46/488378346.db2.gz IJDSTEANRSVHQA-FQEVSTJZSA-N 2 2 372.469 0.626 50 0 FCAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N2C[C@H](CO)C[C@H](CO)C2)c(C)[nH+]1 ZINC000072159282 488378853 /nfs/dbraw/zinc/37/88/53/488378853.db2.gz ZAZPZGVRLQTWBF-FZKCQIBNSA-N 2 2 364.490 0.375 50 0 FCAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2C[C@H](CO)C[C@H](CO)C2)c(C)[nH+]1 ZINC000072159282 488378854 /nfs/dbraw/zinc/37/88/54/488378854.db2.gz ZAZPZGVRLQTWBF-FZKCQIBNSA-N 2 2 364.490 0.375 50 0 FCAALP COCCC[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072480304 488382012 /nfs/dbraw/zinc/38/20/12/488382012.db2.gz BJSHGDUMPPRFBB-OAHLLOKOSA-N 2 2 351.495 0.988 50 0 FCAALP COCCC[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072480304 488382013 /nfs/dbraw/zinc/38/20/13/488382013.db2.gz BJSHGDUMPPRFBB-OAHLLOKOSA-N 2 2 351.495 0.988 50 0 FCAALP CNC(=O)CC[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1 ZINC000077298702 488410166 /nfs/dbraw/zinc/41/01/66/488410166.db2.gz DKJORYFLQNKSSG-UHFFFAOYSA-N 2 2 364.494 0.087 50 0 FCAALP Cn1c(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000223155134 488447808 /nfs/dbraw/zinc/44/78/08/488447808.db2.gz IYRNAXVLNJVECB-GASCZTMLSA-N 2 2 362.478 0.091 50 0 FCAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000095368016 488481619 /nfs/dbraw/zinc/48/16/19/488481619.db2.gz REQHLOXKXYAAJD-AWEZNQCLSA-N 2 2 358.446 0.938 50 0 FCAALP Cc1ccc[nH+]c1NCCNc1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426425534 489567258 /nfs/dbraw/zinc/56/72/58/489567258.db2.gz ZXQVKARGPGUIRG-AWEZNQCLSA-N 2 2 370.457 1.389 50 0 FCAALP CC(C)C[N@@H+]1CCCN(c2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426494334 489570806 /nfs/dbraw/zinc/57/08/06/489570806.db2.gz HCNXAWFDYLBYIC-INIZCTEOSA-N 2 2 363.506 1.553 50 0 FCAALP CC(C)C[N@H+]1CCCN(c2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426494334 489570807 /nfs/dbraw/zinc/57/08/07/489570807.db2.gz HCNXAWFDYLBYIC-INIZCTEOSA-N 2 2 363.506 1.553 50 0 FCAALP Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000426578867 489575526 /nfs/dbraw/zinc/57/55/26/489575526.db2.gz SVTGUFMYPWMEDC-SFHVURJKSA-N 2 2 367.453 0.924 50 0 FCAALP Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000426578867 489575528 /nfs/dbraw/zinc/57/55/28/489575528.db2.gz SVTGUFMYPWMEDC-SFHVURJKSA-N 2 2 367.453 0.924 50 0 FCAALP Cc1[nH+]ccn1CC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670458268 493569750 /nfs/dbraw/zinc/56/97/50/493569750.db2.gz XLXUPLQXCSLVNL-TWMPVWRBSA-N 2 2 365.481 0.875 50 0 FCAALP Cc1[nH+]ccn1CC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670458268 493569751 /nfs/dbraw/zinc/56/97/51/493569751.db2.gz XLXUPLQXCSLVNL-TWMPVWRBSA-N 2 2 365.481 0.875 50 0 FCAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077287438 205585897 /nfs/dbraw/zinc/58/58/97/205585897.db2.gz FXZZYGTZTKBKCV-INIZCTEOSA-N 2 2 374.493 0.225 50 0 FCAALP C[N@@H+]1CCCNC(=O)C12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000215488702 206348798 /nfs/dbraw/zinc/34/87/98/206348798.db2.gz VKJKBZFMQRHYFA-UHFFFAOYSA-N 2 2 355.446 0.653 50 0 FCAALP C[N@H+]1CCCNC(=O)C12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000215488702 206348805 /nfs/dbraw/zinc/34/88/05/206348805.db2.gz VKJKBZFMQRHYFA-UHFFFAOYSA-N 2 2 355.446 0.653 50 0 FCAALP CN1CC2(CC1=O)CCN(c1cc(N3CC[NH+](C)CC3)nc(N)[nH+]1)CC2 ZINC000077540876 132189495 /nfs/dbraw/zinc/18/94/95/132189495.db2.gz YPFMCYQMJWOOGH-UHFFFAOYSA-N 2 2 359.478 0.259 50 0 FCAALP CCn1c(C[NH+](C)C)nnc1C1CCN(c2cc3nncn3c(N)[nH+]2)CC1 ZINC000082172077 132197970 /nfs/dbraw/zinc/19/79/70/132197970.db2.gz QJQPFWWVIHKBKU-UHFFFAOYSA-N 2 2 370.465 0.764 50 0 FCAALP Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(c3cc(N)[nH+]c(N)n3)C2)n1C ZINC000095384801 132209722 /nfs/dbraw/zinc/20/97/22/132209722.db2.gz PKNXUTPWVFHUNC-LBPRGKRZSA-N 2 2 368.449 0.707 50 0 FCAALP Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(c3cc(N)nc(N)[nH+]3)C2)n1C ZINC000095384801 132209723 /nfs/dbraw/zinc/20/97/23/132209723.db2.gz PKNXUTPWVFHUNC-LBPRGKRZSA-N 2 2 368.449 0.707 50 0 FCAALP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3cc(N)[nH+]c(N)n3)C2)n1C ZINC000095384800 132209804 /nfs/dbraw/zinc/20/98/04/132209804.db2.gz PKNXUTPWVFHUNC-GFCCVEGCSA-N 2 2 368.449 0.707 50 0 FCAALP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3cc(N)nc(N)[nH+]3)C2)n1C ZINC000095384800 132209805 /nfs/dbraw/zinc/20/98/05/132209805.db2.gz PKNXUTPWVFHUNC-GFCCVEGCSA-N 2 2 368.449 0.707 50 0 FCAALP Cc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCN(CC[NH+]3CCOCC3)CC2)n1 ZINC000252540159 132293453 /nfs/dbraw/zinc/29/34/53/132293453.db2.gz OUKGDZATPXSJEG-CALCHBBNSA-N 2 2 360.506 0.444 50 0 FCAALP CC(C)[NH+]1CCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000072432440 136146914 /nfs/dbraw/zinc/14/69/14/136146914.db2.gz SSBMWMLWHCCCEI-CQSZACIVSA-N 2 2 367.519 0.878 50 0 FCAALP C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000011716343 487544810 /nfs/dbraw/zinc/54/48/10/487544810.db2.gz QXXMUQZBYMNQEH-RJFAQORQSA-N 2 2 374.529 0.776 50 0 FCAALP C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000011716343 487544812 /nfs/dbraw/zinc/54/48/12/487544812.db2.gz QXXMUQZBYMNQEH-RJFAQORQSA-N 2 2 374.529 0.776 50 0 FCAALP Cc1cc(=O)oc2cc(C[N@@H+]3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)ccc12 ZINC000067948011 488358702 /nfs/dbraw/zinc/35/87/02/488358702.db2.gz NEAUSUCLTVCFRF-ROUUACIJSA-N 2 2 357.454 0.894 50 0 FCAALP Cc1cc(=O)oc2cc(C[N@H+]3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)ccc12 ZINC000067948011 488358704 /nfs/dbraw/zinc/35/87/04/488358704.db2.gz NEAUSUCLTVCFRF-ROUUACIJSA-N 2 2 357.454 0.894 50 0 FCAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N(C)Cc2cnc(N)nc2)c(C)[nH+]1 ZINC000072151307 488378329 /nfs/dbraw/zinc/37/83/29/488378329.db2.gz ONEQRRFJGNCOBS-KBPBESRZSA-N 2 2 357.462 0.957 50 0 FCAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N(C)Cc2cnc(N)nc2)c(C)[nH+]1 ZINC000072151307 488378330 /nfs/dbraw/zinc/37/83/30/488378330.db2.gz ONEQRRFJGNCOBS-KBPBESRZSA-N 2 2 357.462 0.957 50 0 FCAALP CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000072150654 488378443 /nfs/dbraw/zinc/37/84/43/488378443.db2.gz AVWNHDYBZQIHQP-SFHVURJKSA-N 2 2 373.501 0.761 50 0 FCAALP CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000072150654 488378444 /nfs/dbraw/zinc/37/84/44/488378444.db2.gz AVWNHDYBZQIHQP-SFHVURJKSA-N 2 2 373.501 0.761 50 0 FCAALP C1CC1c1nc2c(c(N[C@H]3COC[C@@H]3[NH+]3CCOCC3)n1)CC[NH2+]CC2 ZINC000072423971 488380447 /nfs/dbraw/zinc/38/04/47/488380447.db2.gz NZDZHNGFILDGTA-IRXDYDNUSA-N 2 2 359.474 0.554 50 0 FCAALP O=C(C[N@@H+]1CCc2ccccc2C1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077355018 488411128 /nfs/dbraw/zinc/41/11/28/488411128.db2.gz SHHUZGFVHZYAIV-OAQYLSRUSA-N 2 2 373.497 0.730 50 0 FCAALP O=C(C[N@H+]1CCc2ccccc2C1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077355018 488411131 /nfs/dbraw/zinc/41/11/31/488411131.db2.gz SHHUZGFVHZYAIV-OAQYLSRUSA-N 2 2 373.497 0.730 50 0 FCAALP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000091468534 488464262 /nfs/dbraw/zinc/46/42/62/488464262.db2.gz WBXQEHKVMRPFLP-UHFFFAOYSA-N 2 2 358.494 0.665 50 0 FCAALP C[N@@H+]1CCCNC(=O)C12CC[NH+](CCCOc1ccc(C(N)=O)cc1)CC2 ZINC000252509454 488518450 /nfs/dbraw/zinc/51/84/50/488518450.db2.gz YOCPZSNIXKXWTH-UHFFFAOYSA-N 2 2 374.485 0.841 50 0 FCAALP C[N@H+]1CCCNC(=O)C12CC[NH+](CCCOc1ccc(C(N)=O)cc1)CC2 ZINC000252509454 488518451 /nfs/dbraw/zinc/51/84/51/488518451.db2.gz YOCPZSNIXKXWTH-UHFFFAOYSA-N 2 2 374.485 0.841 50 0 FCAALP Nc1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426420389 489566938 /nfs/dbraw/zinc/56/69/38/489566938.db2.gz RNMYYLQEWAGRTE-AWEZNQCLSA-N 2 2 360.462 0.307 50 0 FCAALP C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CCN(c2cc(N)[nH+]c(N)n2)CC3)C1 ZINC000091626043 536477700 /nfs/dbraw/zinc/47/77/00/536477700.db2.gz DMGVXPKTDSZBGB-ZDUSSCGKSA-N 2 2 359.478 0.554 50 0 FCAALP C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(c2cc(N)[nH+]c(N)n2)CC3)C1 ZINC000091626043 536477704 /nfs/dbraw/zinc/47/77/04/536477704.db2.gz DMGVXPKTDSZBGB-ZDUSSCGKSA-N 2 2 359.478 0.554 50 0 FCAALP C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CCN(c2cc(N)nc(N)[nH+]2)CC3)C1 ZINC000091626043 536477706 /nfs/dbraw/zinc/47/77/06/536477706.db2.gz DMGVXPKTDSZBGB-ZDUSSCGKSA-N 2 2 359.478 0.554 50 0 FCAALP C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(c2cc(N)nc(N)[nH+]2)CC3)C1 ZINC000091626043 536477707 /nfs/dbraw/zinc/47/77/07/536477707.db2.gz DMGVXPKTDSZBGB-ZDUSSCGKSA-N 2 2 359.478 0.554 50 0 FCAALP [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)nn2)CC1 ZINC000252667380 527413086 /nfs/dbraw/zinc/41/30/86/527413086.db2.gz CXLKKHXHIQXFGB-OWCLPIDISA-N 2 2 362.478 0.657 50 0 FCAALP COc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C1)OCO2 ZINC000023375198 1181528905 /nfs/dbraw/zinc/52/89/05/1181528905.db2.gz IZMSNZHKUDZEPL-HZPDHXFCSA-N 2 2 363.458 0.607 50 0 FCAALP COc1cc2c(cc1C[N@H+]1CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C1)OCO2 ZINC000023375198 1181528912 /nfs/dbraw/zinc/52/89/12/1181528912.db2.gz IZMSNZHKUDZEPL-HZPDHXFCSA-N 2 2 363.458 0.607 50 0 FCAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)C(=O)[C@@H](c1ccccc1)n1cnnn1 ZINC001704325323 1286226052 /nfs/dbraw/zinc/22/60/52/1286226052.db2.gz JSGYYTILEAXBNO-QGZVFWFLSA-N 2 2 368.445 0.884 50 0 FCAALP Cn1nc(CC2CC[NH+](C)CC2)nc1CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000096149352 529938801 /nfs/dbraw/zinc/93/88/01/529938801.db2.gz FWDFIXVLWWEEHP-OAHLLOKOSA-N 2 2 369.535 0.361 50 0 FCAALP Cn1nc(CC2CC[NH+](C)CC2)nc1CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000096149352 529938802 /nfs/dbraw/zinc/93/88/02/529938802.db2.gz FWDFIXVLWWEEHP-OAHLLOKOSA-N 2 2 369.535 0.361 50 0 FCAALP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000238096069 206113662 /nfs/dbraw/zinc/11/36/62/206113662.db2.gz RFLNIKCORUQHHQ-GOEBONIOSA-N 2 2 353.850 0.586 50 0 FCAALP O=C([C@H]1C[NH2+]CCO1)N1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000215898023 206352628 /nfs/dbraw/zinc/35/26/28/206352628.db2.gz WRFFWRCOGCXOCX-HXUWFJFHSA-N 2 2 372.513 0.784 50 0 FCAALP C[NH+](C)[C@H]1CC[N@H+](Cc2cnc(N3CCOCC3)nc2)C[C@H]1CCCO ZINC000092021234 132205400 /nfs/dbraw/zinc/20/54/00/132205400.db2.gz FTVLTHIVGPGSDF-MSOLQXFVSA-N 2 2 363.506 0.838 50 0 FCAALP C[NH+](C)[C@H]1CC[N@@H+](Cc2cnc(N3CCOCC3)nc2)C[C@H]1CCCO ZINC000092021234 132205401 /nfs/dbraw/zinc/20/54/01/132205401.db2.gz FTVLTHIVGPGSDF-MSOLQXFVSA-N 2 2 363.506 0.838 50 0 FCAALP CN(C)c1nc(N2CCC(O)CC2)c2c([nH+]1)CCN(c1nc(N)cc[nH+]1)C2 ZINC000096138422 132220081 /nfs/dbraw/zinc/22/00/81/132220081.db2.gz DPTCKZGLQGELIX-UHFFFAOYSA-N 2 2 370.461 0.439 50 0 FCAALP CN(C[C@H](O)CO)c1cc[nH+]c(N2CCC(C[NH+]3CCCCC3)CC2)n1 ZINC000096162735 132221437 /nfs/dbraw/zinc/22/14/37/132221437.db2.gz MSWCZZJDCJAZIH-KRWDZBQOSA-N 2 2 363.506 0.968 50 0 FCAALP NC(=O)C1([NH+]2CCCCC2)CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000243901267 132289885 /nfs/dbraw/zinc/28/98/85/132289885.db2.gz BAPRKRNGFQYCSL-OKILXGFUSA-N 3 2 373.505 0.574 50 0 FCAALP Nc1cc[nH+]c(N2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)n1 ZINC000071760895 136140511 /nfs/dbraw/zinc/14/05/11/136140511.db2.gz MLCKVAZUCICEEZ-IAGOWNOFSA-N 2 2 372.448 0.960 50 0 FCAALP C[N@@H+]1CCNC(=O)C12CCN(C(=O)[C@H]1CCC[NH+](Cc3ccco3)C1)CC2 ZINC000067908986 488358001 /nfs/dbraw/zinc/35/80/01/488358001.db2.gz PLIKYHIUEBRUAE-INIZCTEOSA-N 2 2 374.485 0.914 50 0 FCAALP C[N@H+]1CCNC(=O)C12CCN(C(=O)[C@H]1CCC[NH+](Cc3ccco3)C1)CC2 ZINC000067908986 488358003 /nfs/dbraw/zinc/35/80/03/488358003.db2.gz PLIKYHIUEBRUAE-INIZCTEOSA-N 2 2 374.485 0.914 50 0 FCAALP C[NH+]1CCNC(=O)C12CCN(C(=O)[C@H]1CCC[N@H+](Cc3ccco3)C1)CC2 ZINC000067908986 488358005 /nfs/dbraw/zinc/35/80/05/488358005.db2.gz PLIKYHIUEBRUAE-INIZCTEOSA-N 2 2 374.485 0.914 50 0 FCAALP C[NH+]1CCNC(=O)C12CCN(C(=O)[C@H]1CCC[N@@H+](Cc3ccco3)C1)CC2 ZINC000067908986 488358006 /nfs/dbraw/zinc/35/80/06/488358006.db2.gz PLIKYHIUEBRUAE-INIZCTEOSA-N 2 2 374.485 0.914 50 0 FCAALP CN(CC[NH+](C)C)C(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(F)c1 ZINC000072133480 488377958 /nfs/dbraw/zinc/37/79/58/488377958.db2.gz MLYGIEXBMIAWHT-INIZCTEOSA-N 2 2 350.438 0.536 50 0 FCAALP CN(CC[NH+](C)C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(F)c1 ZINC000072133480 488377959 /nfs/dbraw/zinc/37/79/59/488377959.db2.gz MLYGIEXBMIAWHT-INIZCTEOSA-N 2 2 350.438 0.536 50 0 FCAALP [NH3+]CC(=O)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072147256 488378288 /nfs/dbraw/zinc/37/82/88/488378288.db2.gz ZKBMJRRRSMCBFL-INIZCTEOSA-N 2 2 360.458 0.483 50 0 FCAALP Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000072434545 488381029 /nfs/dbraw/zinc/38/10/29/488381029.db2.gz HSDHNKSXHISBCU-MRXNPFEDSA-N 2 2 362.522 0.921 50 0 FCAALP Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000072434545 488381030 /nfs/dbraw/zinc/38/10/30/488381030.db2.gz HSDHNKSXHISBCU-MRXNPFEDSA-N 2 2 362.522 0.921 50 0 FCAALP Cn1c2ccc(CNc3nc(N)[nH+]c4c3CC[NH2+]CC4)cc2n(C)c1=O ZINC000072462776 488381411 /nfs/dbraw/zinc/38/14/11/488381411.db2.gz KNXNWYCCDIDWKB-UHFFFAOYSA-N 2 2 353.430 0.550 50 0 FCAALP Cc1c(C[NH+]2CCC(c3nnc(C[N@H+](C)CCO)n3C)CC2)cnn1C ZINC000077353730 488411222 /nfs/dbraw/zinc/41/12/22/488411222.db2.gz OGOPVBBCYFNWES-UHFFFAOYSA-N 2 2 361.494 0.661 50 0 FCAALP Cc1c(C[NH+]2CCC(c3nnc(C[N@@H+](C)CCO)n3C)CC2)cnn1C ZINC000077353730 488411225 /nfs/dbraw/zinc/41/12/25/488411225.db2.gz OGOPVBBCYFNWES-UHFFFAOYSA-N 2 2 361.494 0.661 50 0 FCAALP C[N@@H+]1CCN(Cc2ccccc2OCC[NH+]2CCOCC2)C[C@H]1CCO ZINC000225425482 488450167 /nfs/dbraw/zinc/45/01/67/488450167.db2.gz GRJGYEDQKHNHSN-LJQANCHMSA-N 2 2 363.502 0.896 50 0 FCAALP C[N@H+]1CCN(Cc2ccccc2OCC[NH+]2CCOCC2)C[C@H]1CCO ZINC000225425482 488450169 /nfs/dbraw/zinc/45/01/69/488450169.db2.gz GRJGYEDQKHNHSN-LJQANCHMSA-N 2 2 363.502 0.896 50 0 FCAALP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000240936824 488459624 /nfs/dbraw/zinc/45/96/24/488459624.db2.gz SEHZGUHBLAYGNA-QGZVFWFLSA-N 2 2 361.486 0.791 50 0 FCAALP 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HKCNINXTEFPKON-MRXNPFEDSA-N 2 2 364.490 0.852 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000091644024 519687529 /nfs/dbraw/zinc/68/75/29/519687529.db2.gz JGOKSHQJEDYMBV-KRWDZBQOSA-N 2 2 363.462 0.028 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000091644024 519687532 /nfs/dbraw/zinc/68/75/32/519687532.db2.gz JGOKSHQJEDYMBV-KRWDZBQOSA-N 2 2 363.462 0.028 50 0 FCAALP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000238006678 209358593 /nfs/dbraw/zinc/35/85/93/209358593.db2.gz RFLNIKCORUQHHQ-GDBMZVCRSA-N 2 2 353.850 0.586 50 0 FCAALP O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)NCC1=CSC2=[NH+]CCN12 ZINC000102577876 209237388 /nfs/dbraw/zinc/23/73/88/209237388.db2.gz BGGXWMWYINCLNM-AWEZNQCLSA-N 2 2 363.487 0.496 50 0 FCAALP O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)NCC1=CSC2=[NH+]CCN12 ZINC000102577876 209237391 /nfs/dbraw/zinc/23/73/91/209237391.db2.gz BGGXWMWYINCLNM-AWEZNQCLSA-N 2 2 363.487 0.496 50 0 FCAALP COc1ccc(COC[C@@H](O)C[NH2+]CCC[NH+]2CCOCC2)cc1OC ZINC000005831193 207119379 /nfs/dbraw/zinc/11/93/79/207119379.db2.gz XLGSGRPLHGIPDA-KRWDZBQOSA-N 2 2 368.474 0.893 50 0 FCAALP CN(Cc1ccoc1)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077389301 132183139 /nfs/dbraw/zinc/18/31/39/132183139.db2.gz JXIBTLURIYIYDK-UONOGXRCSA-N 2 2 363.443 0.281 50 0 FCAALP CN(CC(C)(C)C)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077457884 132186349 /nfs/dbraw/zinc/18/63/49/132186349.db2.gz RRXHZTVMDOIDCN-QWHCGFSZSA-N 2 2 353.492 0.534 50 0 FCAALP O=S1(=O)C[C@@H]2[NH2+]CCN(c3cc[nH+]c(N4CCCCCC4)n3)[C@@H]2C1 ZINC000077484809 132187123 /nfs/dbraw/zinc/18/71/23/132187123.db2.gz YBLYKMOSSHPSFY-UONOGXRCSA-N 2 2 351.476 0.432 50 0 FCAALP CC1CCN(c2nc(N3CC[NH2+][C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)CC1 ZINC000077538573 132188767 /nfs/dbraw/zinc/18/87/67/132188767.db2.gz RDKWKSQVYUOYBK-UONOGXRCSA-N 2 2 351.476 0.288 50 0 FCAALP COc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)nc(N)[nH+]1 ZINC000091651605 132203141 /nfs/dbraw/zinc/20/31/41/132203141.db2.gz AGWMBUKEGYULPP-CABCVRRESA-N 2 2 364.494 0.282 50 0 FCAALP CC(C)(C)NC(=O)C[NH+]1CCN(c2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)CC1 ZINC000244601755 132289831 /nfs/dbraw/zinc/28/98/31/132289831.db2.gz DRICPEACFJHOEQ-BETUJISGSA-N 2 2 362.478 0.334 50 0 FCAALP [NH3+]Cc1cn(C[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1 ZINC000023505331 136153036 /nfs/dbraw/zinc/15/30/36/136153036.db2.gz NSIJYFQIQRWHHA-AWEZNQCLSA-N 2 2 358.450 0.280 50 0 FCAALP [NH3+]Cc1cn(C[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000023505331 136153037 /nfs/dbraw/zinc/15/30/37/136153037.db2.gz NSIJYFQIQRWHHA-AWEZNQCLSA-N 2 2 358.450 0.280 50 0 FCAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000049762690 488101490 /nfs/dbraw/zinc/10/14/90/488101490.db2.gz XCYZOFLKXOWSJY-CABCVRRESA-N 2 2 362.405 0.779 50 0 FCAALP C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)NC(=S)N1 ZINC000067563187 488353073 /nfs/dbraw/zinc/35/30/73/488353073.db2.gz YTCRHPMSRLDBNL-KGLIPLIRSA-N 2 2 353.536 0.240 50 0 FCAALP C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)NC(=S)N1 ZINC000067563187 488353075 /nfs/dbraw/zinc/35/30/75/488353075.db2.gz YTCRHPMSRLDBNL-KGLIPLIRSA-N 2 2 353.536 0.240 50 0 FCAALP [NH3+]C1CN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)C1 ZINC000071712248 488377088 /nfs/dbraw/zinc/37/70/88/488377088.db2.gz UGUQSSMLRNQKKD-QGZVFWFLSA-N 3 2 357.502 0.928 50 0 FCAALP [NH3+]C1CN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)C1 ZINC000071712248 488377089 /nfs/dbraw/zinc/37/70/89/488377089.db2.gz UGUQSSMLRNQKKD-QGZVFWFLSA-N 3 2 357.502 0.928 50 0 FCAALP NC(=O)CCn1cc(C[N@@H+]2CCO[C@@]3(C2)C[NH2+]CCOC3)c2ccccc21 ZINC000072127500 488377752 /nfs/dbraw/zinc/37/77/52/488377752.db2.gz NIWPGHLPOPPQES-HXUWFJFHSA-N 2 2 372.469 0.708 50 0 FCAALP NC(=O)CCn1cc(C[N@H+]2CCO[C@@]3(C2)C[NH2+]CCOC3)c2ccccc21 ZINC000072127500 488377753 /nfs/dbraw/zinc/37/77/53/488377753.db2.gz NIWPGHLPOPPQES-HXUWFJFHSA-N 2 2 372.469 0.708 50 0 FCAALP O=C([C@@H]1C[NH2+]CCN1C(=O)c1ccc(Cn2cc[nH+]c2)o1)N1CCCC1 ZINC000072143973 488378007 /nfs/dbraw/zinc/37/80/07/488378007.db2.gz SUJOGCLOBLEQAJ-HNNXBMFYSA-N 2 2 357.414 0.561 50 0 FCAALP O=c1[nH]c(CC2CC2)nc2c1CC[N@H+](Cc1cc3n(n1)CCC[NH2+]C3)C2 ZINC000072143138 488378068 /nfs/dbraw/zinc/37/80/68/488378068.db2.gz KMSBVRKVWMAOJJ-UHFFFAOYSA-N 2 2 354.458 0.971 50 0 FCAALP O=c1[nH]c(CC2CC2)nc2c1CC[N@@H+](Cc1cc3n(n1)CCC[NH2+]C3)C2 ZINC000072143138 488378069 /nfs/dbraw/zinc/37/80/69/488378069.db2.gz KMSBVRKVWMAOJJ-UHFFFAOYSA-N 2 2 354.458 0.971 50 0 FCAALP CN(Cc1[nH]cc[nH+]1)c1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000072435412 488380904 /nfs/dbraw/zinc/38/09/04/488380904.db2.gz FRMNQQQGKAZVKN-LLVKDONJSA-N 2 2 350.448 0.707 50 0 FCAALP Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000072434547 488381051 /nfs/dbraw/zinc/38/10/51/488381051.db2.gz HSDHNKSXHISBCU-INIZCTEOSA-N 2 2 362.522 0.921 50 0 FCAALP Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000072434547 488381052 /nfs/dbraw/zinc/38/10/52/488381052.db2.gz HSDHNKSXHISBCU-INIZCTEOSA-N 2 2 362.522 0.921 50 0 FCAALP COCCC[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1 ZINC000077298327 488410299 /nfs/dbraw/zinc/41/02/99/488410299.db2.gz JDQUQRFDWJWORU-UHFFFAOYSA-N 2 2 351.495 0.988 50 0 FCAALP NC(=O)[C@@H]1C[N@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)CCO1 ZINC000215573632 488440395 /nfs/dbraw/zinc/44/03/95/488440395.db2.gz PKJJVKGQTJAGKL-SFHVURJKSA-N 2 2 363.458 0.474 50 0 FCAALP NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)CCO1 ZINC000215573632 488440398 /nfs/dbraw/zinc/44/03/98/488440398.db2.gz PKJJVKGQTJAGKL-SFHVURJKSA-N 2 2 363.458 0.474 50 0 FCAALP O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CC[NH+](CCOCCO)CC1 ZINC000216089250 488441010 /nfs/dbraw/zinc/44/10/10/488441010.db2.gz AFGQLMYMWXSFJQ-IBGZPJMESA-N 2 2 361.486 0.920 50 0 FCAALP NS(=O)(=O)N1CC[NH+](Cc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000216117980 488441074 /nfs/dbraw/zinc/44/10/74/488441074.db2.gz FDIURZDSNRBGSX-UHFFFAOYSA-N 2 2 365.459 0.283 50 0 FCAALP Cn1cc[nH+]c1CN1CCN(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)CC1 ZINC000244574892 488460519 /nfs/dbraw/zinc/46/05/19/488460519.db2.gz CTDZUQNXRAVOIS-SHTZXODSSA-N 2 2 370.505 0.869 50 0 FCAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1C[C@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000244811433 488462208 /nfs/dbraw/zinc/46/22/08/488462208.db2.gz SCOTYBDZGWUJFX-HDJSIYSDSA-N 2 2 358.450 0.263 50 0 FCAALP Cc1[nH+]ccn1CCC(=O)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000092098020 488474263 /nfs/dbraw/zinc/47/42/63/488474263.db2.gz LZKWYWJGOYWGHS-IAGOWNOFSA-N 2 2 350.463 0.371 50 0 FCAALP NC(=O)C[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000262644353 488584096 /nfs/dbraw/zinc/58/40/96/488584096.db2.gz TUUTYZHOMLOSIU-AEFFLSMTSA-N 2 2 369.469 0.915 50 0 FCAALP CN(CCCc1[nH+]ccn1C)c1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426628890 489577912 /nfs/dbraw/zinc/57/79/12/489577912.db2.gz WEJZTCMFIMBYGC-CQSZACIVSA-N 2 2 372.473 0.964 50 0 FCAALP O=C(CN1CCCC1=O)N[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1C1CC1 ZINC000219575541 1203180240 /nfs/dbraw/zinc/18/02/40/1203180240.db2.gz DBJQCFOQZJCUMG-SJORKVTESA-N 2 2 359.474 0.722 50 0 FCAALP O=C(CN1CCCC1=O)N[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1C1CC1 ZINC000219575541 1203180245 /nfs/dbraw/zinc/18/02/45/1203180245.db2.gz DBJQCFOQZJCUMG-SJORKVTESA-N 2 2 359.474 0.722 50 0 FCAALP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC001529187471 1267042059 /nfs/dbraw/zinc/04/20/59/1267042059.db2.gz SWDOTMBJJXJTKR-MRXNPFEDSA-N 2 2 352.523 0.508 50 0 FCAALP C[N@@H+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)CC1(C)C ZINC000827945825 836535341 /nfs/dbraw/zinc/53/53/41/836535341.db2.gz UECNXVNJVQQLNN-OAHLLOKOSA-N 2 2 357.520 0.438 50 0 FCAALP C[N@H+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)CC1(C)C ZINC000827945825 836535346 /nfs/dbraw/zinc/53/53/46/836535346.db2.gz UECNXVNJVQQLNN-OAHLLOKOSA-N 2 2 357.520 0.438 50 0 FCAALP CCNc1ncc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cn1 ZINC000095352003 209023266 /nfs/dbraw/zinc/02/32/66/209023266.db2.gz MJQQUTFNBZKHLB-QZTJIDSGSA-N 2 2 363.506 0.653 50 0 FCAALP CCNc1ncc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cn1 ZINC000095352003 209023271 /nfs/dbraw/zinc/02/32/71/209023271.db2.gz MJQQUTFNBZKHLB-QZTJIDSGSA-N 2 2 363.506 0.653 50 0 FCAALP CC(C)Oc1cc(N2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)nc(N)[nH+]1 ZINC000095502768 132212229 /nfs/dbraw/zinc/21/22/29/132212229.db2.gz HAIZEOOKSQAPFQ-LBPRGKRZSA-N 2 2 359.434 0.912 50 0 FCAALP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058201187 136130918 /nfs/dbraw/zinc/13/09/18/136130918.db2.gz UUGHHPJHYYXDDR-HZPDHXFCSA-N 2 2 374.489 0.499 50 0 FCAALP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058201187 136130919 /nfs/dbraw/zinc/13/09/19/136130919.db2.gz UUGHHPJHYYXDDR-HZPDHXFCSA-N 2 2 374.489 0.499 50 0 FCAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(c2cc(N)[nH+]c(N)n2)C1 ZINC000072477743 136149597 /nfs/dbraw/zinc/14/95/97/136149597.db2.gz DOIFKVQAKAGBRV-LBPRGKRZSA-N 2 2 357.466 0.749 50 0 FCAALP [NH3+][C@@H](Cc1cscn1)C(=O)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000055107487 488235510 /nfs/dbraw/zinc/23/55/10/488235510.db2.gz BSCRYZKQPGQAAG-KRWDZBQOSA-N 2 2 360.483 0.850 50 0 FCAALP [NH3+]CCN1C[C@]23CC[C@H](O2)[C@H](C(=O)Nc2c[nH+]c4n2CCCC4)[C@@H]3C1=O ZINC000067460322 488351266 /nfs/dbraw/zinc/35/12/66/488351266.db2.gz VVJSPGQTFUUQPY-MKXCTONWSA-N 2 2 359.430 0.123 50 0 FCAALP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)CC1 ZINC000072426317 488380578 /nfs/dbraw/zinc/38/05/78/488380578.db2.gz WOWVCDMSKZUGBE-INIZCTEOSA-N 3 2 360.506 0.138 50 0 FCAALP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)CC1 ZINC000072426317 488380579 /nfs/dbraw/zinc/38/05/79/488380579.db2.gz WOWVCDMSKZUGBE-INIZCTEOSA-N 3 2 360.506 0.138 50 0 FCAALP O=C(C[NH+]1CCN(CC[NH+]2CCSCC2)CC1)NCc1ccccc1 ZINC000075109072 488395313 /nfs/dbraw/zinc/39/53/13/488395313.db2.gz GSMHZSAPQNJODD-UHFFFAOYSA-N 2 2 362.543 0.969 50 0 FCAALP CN1CC[NH+](CCOc2ccccc2C[N@@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000216225919 488441304 /nfs/dbraw/zinc/44/13/04/488441304.db2.gz YHCOWDNWIWKKLH-FQEVSTJZSA-N 2 2 363.502 0.632 50 0 FCAALP CN1CC[NH+](CCOc2ccccc2C[N@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000216225919 488441305 /nfs/dbraw/zinc/44/13/05/488441305.db2.gz YHCOWDNWIWKKLH-FQEVSTJZSA-N 2 2 363.502 0.632 50 0 FCAALP C[NH+]1CCN(C2(CNc3nc4c(c(=O)[nH]3)CC[NH2+]C4)CCCCC2)CC1 ZINC000082109945 488445558 /nfs/dbraw/zinc/44/55/58/488445558.db2.gz NUOLDACEDPFNQW-UHFFFAOYSA-N 2 2 360.506 0.778 50 0 FCAALP CCn1c(CN2CC[NH+](C3CC[NH+](C)CC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000243892807 488460075 /nfs/dbraw/zinc/46/00/75/488460075.db2.gz ALPPWERCSPHRDL-WKILWMFISA-N 3 2 361.538 0.715 50 0 FCAALP Cc1ccc2[nH]c(C[N@@H+]3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)cc(=O)c2c1 ZINC000091636118 488466935 /nfs/dbraw/zinc/46/69/35/488466935.db2.gz RJFOORDPGBFLRR-ICSRJNTNSA-N 2 2 356.470 0.629 50 0 FCAALP Cc1ccc2[nH]c(C[N@H+]3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)cc(=O)c2c1 ZINC000091636118 488466939 /nfs/dbraw/zinc/46/69/39/488466939.db2.gz RJFOORDPGBFLRR-ICSRJNTNSA-N 2 2 356.470 0.629 50 0 FCAALP COCCn1c(C[NH+]2CCC(NC(C)=O)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252535854 488518808 /nfs/dbraw/zinc/51/88/08/488518808.db2.gz HARSHEQRVFVDFY-OKILXGFUSA-N 2 2 350.467 0.230 50 0 FCAALP NC(=O)C1CC[NH+](CCCNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000534656793 490393336 /nfs/dbraw/zinc/39/33/36/490393336.db2.gz AARJPYBHBKABJZ-UHFFFAOYSA-N 2 2 374.489 0.501 50 0 FCAALP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000020542171 521684938 /nfs/dbraw/zinc/68/49/38/521684938.db2.gz SRBLXUAQPYPJHG-LJQANCHMSA-N 2 2 363.502 0.896 50 0 FCAALP C[NH+](C)[C@H](C(=O)NCc1cc2n(n1)CC[NH2+]C2)c1ccc2c(c1)OCO2 ZINC000082161806 522067246 /nfs/dbraw/zinc/06/72/46/522067246.db2.gz IDNAGEWTRIAQKM-KRWDZBQOSA-N 2 2 357.414 0.634 50 0 FCAALP C[NH+]1CCN(C(=O)CCc2cc3n(n2)CCC[N@H+](Cc2ncc[nH]2)C3)CC1 ZINC000091452383 523870752 /nfs/dbraw/zinc/87/07/52/523870752.db2.gz VWQPVPKJKSHZGN-UHFFFAOYSA-N 2 2 371.489 0.719 50 0 FCAALP C[NH+]1CCN(C(=O)CCc2cc3n(n2)CCC[N@@H+](Cc2ncc[nH]2)C3)CC1 ZINC000091452383 523870757 /nfs/dbraw/zinc/87/07/57/523870757.db2.gz VWQPVPKJKSHZGN-UHFFFAOYSA-N 2 2 371.489 0.719 50 0 FCAALP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082121225 527130009 /nfs/dbraw/zinc/13/00/09/527130009.db2.gz VOXNEXOQQLXZLH-LJQANCHMSA-N 2 2 369.469 0.894 50 0 FCAALP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082121225 527130013 /nfs/dbraw/zinc/13/00/13/527130013.db2.gz VOXNEXOQQLXZLH-LJQANCHMSA-N 2 2 369.469 0.894 50 0 FCAALP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082121982 527176004 /nfs/dbraw/zinc/17/60/04/527176004.db2.gz VOXNEXOQQLXZLH-IBGZPJMESA-N 2 2 369.469 0.894 50 0 FCAALP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082121982 527176013 /nfs/dbraw/zinc/17/60/13/527176013.db2.gz VOXNEXOQQLXZLH-IBGZPJMESA-N 2 2 369.469 0.894 50 0 FCAALP C[NH+](C)Cc1cc2n(n1)CCN(c1nc(N3CCC[C@H](O)C3)cc[nH+]1)C2 ZINC000072426897 535993184 /nfs/dbraw/zinc/99/31/84/535993184.db2.gz MSZDXGRFFHVACF-INIZCTEOSA-N 2 2 357.462 0.716 50 0 FCAALP C[N@@H+]1CCN(c2cc(N)[nH+]c(N)n2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095374497 536420354 /nfs/dbraw/zinc/42/03/54/536420354.db2.gz MZLYNIZKOGIYCZ-SFHVURJKSA-N 2 2 359.478 0.554 50 0 FCAALP C[N@H+]1CCN(c2cc(N)[nH+]c(N)n2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095374497 536420356 /nfs/dbraw/zinc/42/03/56/536420356.db2.gz MZLYNIZKOGIYCZ-SFHVURJKSA-N 2 2 359.478 0.554 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000091951491 1171056674 /nfs/dbraw/zinc/05/66/74/1171056674.db2.gz NOBJCVDFENOHCK-KRWDZBQOSA-N 2 2 370.457 0.899 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000091951491 1171056683 /nfs/dbraw/zinc/05/66/83/1171056683.db2.gz NOBJCVDFENOHCK-KRWDZBQOSA-N 2 2 370.457 0.899 50 0 FCAALP COc1cc2[nH+]c(N3C[C@@H]4C[NH2+]C[C@]4(C[NH+](C)C)C3)nc(N)c2cc1OC ZINC001772709879 1181700002 /nfs/dbraw/zinc/70/00/02/1181700002.db2.gz NZPGNXLVYZHWLB-BUXKBTBVSA-N 3 2 372.473 0.817 50 0 FCAALP O=C(COc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)cc1)N1CCCC1 ZINC001772711627 1181711458 /nfs/dbraw/zinc/71/14/58/1181711458.db2.gz GDQWEVGURCMKKS-PXNSSMCTSA-N 2 2 359.470 0.702 50 0 FCAALP O=C(COc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)cc1)N1CCCC1 ZINC001772711627 1181711468 /nfs/dbraw/zinc/71/14/68/1181711468.db2.gz GDQWEVGURCMKKS-PXNSSMCTSA-N 2 2 359.470 0.702 50 0 FCAALP CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000952874244 1206212472 /nfs/dbraw/zinc/21/24/72/1206212472.db2.gz YYNOQCWFOYBACZ-SFHVURJKSA-N 2 2 366.550 0.852 50 0 FCAALP CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000952874244 1206212473 /nfs/dbraw/zinc/21/24/73/1206212473.db2.gz YYNOQCWFOYBACZ-SFHVURJKSA-N 2 2 366.550 0.852 50 0 FCAALP CCc1cc(N2CC[NH+](CCn3cncn3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001529120942 1267030286 /nfs/dbraw/zinc/03/02/86/1267030286.db2.gz VJNINWYRWYOCKO-UHFFFAOYSA-N 2 2 372.477 0.289 50 0 FCAALP C[NH+](C)CCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000041318971 208284297 /nfs/dbraw/zinc/28/42/97/208284297.db2.gz XLTDIBNSZLANFR-UHFFFAOYSA-N 2 2 368.503 0.304 50 0 FCAALP COc1cc(=O)n2c(c1C(=O)Nc1c[nH+]c3n1CCCC3)CC[NH2+]CC2 ZINC000067974372 208744747 /nfs/dbraw/zinc/74/47/47/208744747.db2.gz ZCECWIHFDWQAPH-UHFFFAOYSA-N 2 2 357.414 0.788 50 0 FCAALP O=C(C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2)N1CC[NH2+]CC1 ZINC000091871318 209001902 /nfs/dbraw/zinc/00/19/02/209001902.db2.gz NUQFFGGQRBYJFB-HZPDHXFCSA-N 2 2 357.458 0.050 50 0 FCAALP O=C(C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2)N1CC[NH2+]CC1 ZINC000091871318 209001904 /nfs/dbraw/zinc/00/19/04/209001904.db2.gz NUQFFGGQRBYJFB-HZPDHXFCSA-N 2 2 357.458 0.050 50 0 FCAALP CSc1nc(N)cc(N2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)[nH+]1 ZINC000095360622 209027924 /nfs/dbraw/zinc/02/79/24/209027924.db2.gz MIZVAXYDQKOYAP-VXGBXAGGSA-N 2 2 353.492 0.282 50 0 FCAALP Cc1nnnn1CC(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095496723 209060141 /nfs/dbraw/zinc/06/01/41/209060141.db2.gz XTSOHIDLYUXJAK-HNNXBMFYSA-N 2 2 360.466 0.536 50 0 FCAALP CC1(C)CCN(c2nc(N3CC[NH2+][C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)CC1 ZINC000077340775 132181093 /nfs/dbraw/zinc/18/10/93/132181093.db2.gz ZIZZCGJHNXFJQU-UONOGXRCSA-N 2 2 365.503 0.678 50 0 FCAALP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC000095971696 132216514 /nfs/dbraw/zinc/21/65/14/132216514.db2.gz JHDHNAPHDPCPQP-HNNXBMFYSA-N 2 2 357.462 0.920 50 0 FCAALP Cc1ccc(C[N@@H+]2CCN(c3cc(NCCO)[nH+]cn3)C[C@H]2CCO)o1 ZINC000106978565 132266137 /nfs/dbraw/zinc/26/61/37/132266137.db2.gz QIFWUFAVBVLXIU-OAHLLOKOSA-N 2 2 361.446 0.855 50 0 FCAALP Cc1ccc(C[N@H+]2CCN(c3cc(NCCO)[nH+]cn3)C[C@H]2CCO)o1 ZINC000106978565 132266138 /nfs/dbraw/zinc/26/61/38/132266138.db2.gz QIFWUFAVBVLXIU-OAHLLOKOSA-N 2 2 361.446 0.855 50 0 FCAALP Nc1nc(N2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)cc[nH+]1 ZINC000071762438 136140632 /nfs/dbraw/zinc/14/06/32/136140632.db2.gz IMDRVGMXVWXQCQ-IAGOWNOFSA-N 2 2 372.448 0.960 50 0 FCAALP CC[NH+]1CCN(C2=[NH+][C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2)CC1 ZINC000016972639 487595683 /nfs/dbraw/zinc/59/56/83/487595683.db2.gz AORCDTISQGITMF-OAHLLOKOSA-N 2 2 359.430 0.516 50 0 FCAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000049765305 488101326 /nfs/dbraw/zinc/10/13/26/488101326.db2.gz MMSXPPKURCSIOR-HOTGVXAUSA-N 2 2 358.442 0.949 50 0 FCAALP Cc1ccc(C)c(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000051768455 488146598 /nfs/dbraw/zinc/14/65/98/488146598.db2.gz PBVBZSWVMWWKCI-UHFFFAOYSA-N 2 2 366.531 0.913 50 0 FCAALP CC[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cn(CCN2CC[NH+](C)CC2)nc1C ZINC000065385563 488317651 /nfs/dbraw/zinc/31/76/51/488317651.db2.gz OCSVWMRXSAXQMJ-GOSISDBHSA-N 2 2 362.522 0.492 50 0 FCAALP CC[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cn(CCN2CC[NH+](C)CC2)nc1C ZINC000065385563 488317655 /nfs/dbraw/zinc/31/76/55/488317655.db2.gz OCSVWMRXSAXQMJ-GOSISDBHSA-N 2 2 362.522 0.492 50 0 FCAALP CN1CC[N@H+](C)CC12CCN(c1nc(N3CCC(O)CC3)cc[nH+]1)CC2 ZINC000067805175 488356199 /nfs/dbraw/zinc/35/61/99/488356199.db2.gz PBOBSVDDZXMOGA-UHFFFAOYSA-N 2 2 360.506 0.654 50 0 FCAALP CN1CC[N@@H+](C)CC12CCN(c1nc(N3CCC(O)CC3)cc[nH+]1)CC2 ZINC000067805175 488356200 /nfs/dbraw/zinc/35/62/00/488356200.db2.gz PBOBSVDDZXMOGA-UHFFFAOYSA-N 2 2 360.506 0.654 50 0 FCAALP O=C([C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1)N1CCNC(=O)C1 ZINC000072447524 488381178 /nfs/dbraw/zinc/38/11/78/488381178.db2.gz FWXMOUWUIVXQNK-KRWDZBQOSA-N 2 2 369.425 0.032 50 0 FCAALP O=C([C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1)N1CCNC(=O)C1 ZINC000072447524 488381179 /nfs/dbraw/zinc/38/11/79/488381179.db2.gz FWXMOUWUIVXQNK-KRWDZBQOSA-N 2 2 369.425 0.032 50 0 FCAALP C[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)NCc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000082097881 488445568 /nfs/dbraw/zinc/44/55/68/488445568.db2.gz MZBHANGBFJRCLH-SFHVURJKSA-N 3 2 360.506 0.551 50 0 FCAALP C[NH+]1CCC([N@H+]2CCC[C@H]2C(=O)NCc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000082097881 488445569 /nfs/dbraw/zinc/44/55/69/488445569.db2.gz MZBHANGBFJRCLH-SFHVURJKSA-N 3 2 360.506 0.551 50 0 FCAALP CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC[NH+](Cc2ccncc2)CC1 ZINC000082161376 488446055 /nfs/dbraw/zinc/44/60/55/488446055.db2.gz HLJXYQXVLJUYJH-QGZVFWFLSA-N 2 2 359.474 0.326 50 0 FCAALP CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC[NH+](Cc2ccncc2)CC1 ZINC000082161376 488446057 /nfs/dbraw/zinc/44/60/57/488446057.db2.gz HLJXYQXVLJUYJH-QGZVFWFLSA-N 2 2 359.474 0.326 50 0 FCAALP CC[NH+]1CCNC(=O)[C@H]1CC(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000082161376 488446058 /nfs/dbraw/zinc/44/60/58/488446058.db2.gz HLJXYQXVLJUYJH-QGZVFWFLSA-N 2 2 359.474 0.326 50 0 FCAALP CC[NH+]1CCNC(=O)[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000082161376 488446061 /nfs/dbraw/zinc/44/60/61/488446061.db2.gz HLJXYQXVLJUYJH-QGZVFWFLSA-N 2 2 359.474 0.326 50 0 FCAALP Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000222987227 488447261 /nfs/dbraw/zinc/44/72/61/488447261.db2.gz SIUHFICNXKNYBV-UHFFFAOYSA-N 2 2 362.459 0.566 50 0 FCAALP OCCNc1nc(NCCc2[nH]c3ccccc3[nH+]2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426368147 489564327 /nfs/dbraw/zinc/56/43/27/489564327.db2.gz ARRPVZRIDUMMIS-CYBMUJFWSA-N 2 2 368.441 0.759 50 0 FCAALP C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC000091546959 521822075 /nfs/dbraw/zinc/82/20/75/521822075.db2.gz UIJDYSUHGXBHAC-INIZCTEOSA-N 3 2 359.478 0.444 50 0 FCAALP COCCN1C[C@@H](C(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)CC1=O ZINC000952972028 1206216214 /nfs/dbraw/zinc/21/62/14/1206216214.db2.gz FBPNTGHHOVCWEJ-INIZCTEOSA-N 2 2 366.506 0.110 50 0 FCAALP COCCN1C[C@@H](C(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)CC1=O ZINC000952972028 1206216215 /nfs/dbraw/zinc/21/62/15/1206216215.db2.gz FBPNTGHHOVCWEJ-INIZCTEOSA-N 2 2 366.506 0.110 50 0 FCAALP CN(C)S(=O)(=O)C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC001529111956 1267030434 /nfs/dbraw/zinc/03/04/34/1267030434.db2.gz CIBSVEHKSLPTJO-RDJZCZTQSA-N 2 2 364.471 0.556 50 0 FCAALP CN(C)S(=O)(=O)C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC001529111956 1267030443 /nfs/dbraw/zinc/03/04/43/1267030443.db2.gz CIBSVEHKSLPTJO-RDJZCZTQSA-N 2 2 364.471 0.556 50 0 FCAALP CCn1c2ccccc2n(CC(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)c1=[NH2+] ZINC000101913770 209230477 /nfs/dbraw/zinc/23/04/77/209230477.db2.gz ZKCAEQLTPSUKEA-CJNGLKHVSA-N 2 2 372.473 0.395 50 0 FCAALP c1ccc(OCC[NH+]2CCOCC2)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097436768 209181979 /nfs/dbraw/zinc/18/19/79/209181979.db2.gz XYTWHXBMSFEXDT-FQEVSTJZSA-N 3 2 374.529 0.877 50 0 FCAALP CC1=[NH+]N(CC[NH+]2CCCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000010108821 207295267 /nfs/dbraw/zinc/29/52/67/207295267.db2.gz VLWPCLYMBASQAH-UHFFFAOYSA-N 2 2 373.461 0.506 50 0 FCAALP O=C(c1cccc([C@@H]2CCC[NH2+]C2)c1)N1CC[NH+](CCOCCO)CC1 ZINC000095352492 209023239 /nfs/dbraw/zinc/02/32/39/209023239.db2.gz YUCZQCQPPNCOJW-LJQANCHMSA-N 2 2 361.486 0.920 50 0 FCAALP CN(Cc1ccccn1)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077285036 132179261 /nfs/dbraw/zinc/17/92/61/132179261.db2.gz ARTZGGRNLWQPNI-LSDHHAIUSA-N 2 2 374.470 0.083 50 0 FCAALP Cn1cc[nH+]c1C1CCN(c2cncc(C(=O)N3CC[NH+](C)CC3)n2)CC1 ZINC000091769329 132203773 /nfs/dbraw/zinc/20/37/73/132203773.db2.gz AGWLIWVEFGTEBK-UHFFFAOYSA-N 2 2 369.473 0.982 50 0 FCAALP CN1C[C@]2(CCCN(c3cc(N4CC[NH+](C)CC4)nc(N)[nH+]3)C2)OC1=O ZINC000072422954 136146284 /nfs/dbraw/zinc/14/62/84/136146284.db2.gz RYGUJZFQOPKJDU-KRWDZBQOSA-N 2 2 361.450 0.232 50 0 FCAALP NC(=O)C1([NH+]2CCCCC2)CCN(c2cc(NC3CC3)[nH+]c(N)n2)CC1 ZINC000065385294 488317861 /nfs/dbraw/zinc/31/78/61/488317861.db2.gz XWNWOHKEESNYCK-UHFFFAOYSA-N 2 2 359.478 0.943 50 0 FCAALP NC(=O)C1([NH+]2CCCCC2)CCN(c2cc(NC3CC3)nc(N)[nH+]2)CC1 ZINC000065385294 488317865 /nfs/dbraw/zinc/31/78/65/488317865.db2.gz XWNWOHKEESNYCK-UHFFFAOYSA-N 2 2 359.478 0.943 50 0 FCAALP COc1cccc2c1OCC(C[N@@H+]1C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C1)=C2 ZINC000065458578 488318306 /nfs/dbraw/zinc/31/83/06/488318306.db2.gz XLPGBYNUFUTXBI-ROUUACIJSA-N 2 2 359.470 0.764 50 0 FCAALP COc1cccc2c1OCC(C[N@H+]1C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C1)=C2 ZINC000065458578 488318308 /nfs/dbraw/zinc/31/83/08/488318308.db2.gz XLPGBYNUFUTXBI-ROUUACIJSA-N 2 2 359.470 0.764 50 0 FCAALP C[N@@H+]1CCNC(=O)C12CCN(C(=O)c1ccc(C[NH+]3CCCC3)o1)CC2 ZINC000067603588 488353225 /nfs/dbraw/zinc/35/32/25/488353225.db2.gz SBEOGNPEKBWLSE-UHFFFAOYSA-N 2 2 360.458 0.912 50 0 FCAALP C[N@H+]1CCNC(=O)C12CCN(C(=O)c1ccc(C[NH+]3CCCC3)o1)CC2 ZINC000067603588 488353228 /nfs/dbraw/zinc/35/32/28/488353228.db2.gz SBEOGNPEKBWLSE-UHFFFAOYSA-N 2 2 360.458 0.912 50 0 FCAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000067739797 488355637 /nfs/dbraw/zinc/35/56/37/488355637.db2.gz OMUVHOFRJQLGOI-INIZCTEOSA-N 2 2 363.506 0.859 50 0 FCAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000067739797 488355639 /nfs/dbraw/zinc/35/56/39/488355639.db2.gz OMUVHOFRJQLGOI-INIZCTEOSA-N 2 2 363.506 0.859 50 0 FCAALP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[NH+](CCO)CC3)cnn2c1 ZINC000067773058 488355857 /nfs/dbraw/zinc/35/58/57/488355857.db2.gz SCVRKDLBMUAPNS-UHFFFAOYSA-N 2 2 360.462 0.321 50 0 FCAALP NC(=O)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071756769 488377280 /nfs/dbraw/zinc/37/72/80/488377280.db2.gz CRQBRSUMPVVONX-MRXNPFEDSA-N 2 2 359.474 0.360 50 0 FCAALP NC(=O)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071756769 488377281 /nfs/dbraw/zinc/37/72/81/488377281.db2.gz CRQBRSUMPVVONX-MRXNPFEDSA-N 2 2 359.474 0.360 50 0 FCAALP C[C@@H]1C[N@H+](C2(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)Cc3ccccc3C2)C[C@H](C)O1 ZINC000072150935 488378277 /nfs/dbraw/zinc/37/82/77/488378277.db2.gz HKLPHXVQQPAQKY-LTCOOKNTSA-N 2 2 359.470 0.082 50 0 FCAALP C[C@@H]1C[N@@H+](C2(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)Cc3ccccc3C2)C[C@H](C)O1 ZINC000072150935 488378278 /nfs/dbraw/zinc/37/82/78/488378278.db2.gz HKLPHXVQQPAQKY-LTCOOKNTSA-N 2 2 359.470 0.082 50 0 FCAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ncnc(N3CCCC3)c2CC1 ZINC000072418676 488380169 /nfs/dbraw/zinc/38/01/69/488380169.db2.gz WMGJXTAKVQMIDO-HNNXBMFYSA-N 2 2 355.446 0.297 50 0 FCAALP Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000072411782 488380173 /nfs/dbraw/zinc/38/01/73/488380173.db2.gz UOZHRSKBAGBCAQ-CQSZACIVSA-N 2 2 350.511 0.689 50 0 FCAALP Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000072411782 488380174 /nfs/dbraw/zinc/38/01/74/488380174.db2.gz UOZHRSKBAGBCAQ-CQSZACIVSA-N 2 2 350.511 0.689 50 0 FCAALP Cc1cccn2c(CC(=O)N3CCOC[C@@](O)(C[NH+]4CCCC4)C3)c[nH+]c12 ZINC000077437206 488412898 /nfs/dbraw/zinc/41/28/98/488412898.db2.gz CUHXTTGULVERBA-HXUWFJFHSA-N 2 2 372.469 0.871 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](CCCCO)CC1 ZINC000077503243 488414387 /nfs/dbraw/zinc/41/43/87/488414387.db2.gz DPAFBKJPDDLSHS-UHFFFAOYSA-N 2 2 351.495 0.724 50 0 FCAALP COc1c[nH]c(C[N@@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)cc1=O ZINC000230469463 488452491 /nfs/dbraw/zinc/45/24/91/488452491.db2.gz UWONOZJLOWAJET-QGZVFWFLSA-N 2 2 361.446 0.581 50 0 FCAALP COc1c[nH]c(C[N@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)cc1=O ZINC000230469463 488452494 /nfs/dbraw/zinc/45/24/94/488452494.db2.gz UWONOZJLOWAJET-QGZVFWFLSA-N 2 2 361.446 0.581 50 0 FCAALP C[N@H+](CCO)C[C@@H]1C[NH+](Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CO ZINC000091818208 488470265 /nfs/dbraw/zinc/47/02/65/488470265.db2.gz CNSWPQDZBHIOFP-IAGOWNOFSA-N 2 2 362.449 0.976 50 0 FCAALP C[N@@H+](CCO)C[C@@H]1C[NH+](Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CO ZINC000091818208 488470266 /nfs/dbraw/zinc/47/02/66/488470266.db2.gz CNSWPQDZBHIOFP-IAGOWNOFSA-N 2 2 362.449 0.976 50 0 FCAALP C[NH+](CCO)C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CO ZINC000091818208 488470269 /nfs/dbraw/zinc/47/02/69/488470269.db2.gz CNSWPQDZBHIOFP-IAGOWNOFSA-N 2 2 362.449 0.976 50 0 FCAALP C[NH+](CCO)C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CO ZINC000091818208 488470270 /nfs/dbraw/zinc/47/02/70/488470270.db2.gz CNSWPQDZBHIOFP-IAGOWNOFSA-N 2 2 362.449 0.976 50 0 FCAALP CCCC[N@@H+]1CCn2nc(CNC(=O)[C@H]3[NH2+]CCc4nc[nH]c43)cc2C1 ZINC000426410767 489566400 /nfs/dbraw/zinc/56/64/00/489566400.db2.gz XNKQYNUHPJTOKJ-KRWDZBQOSA-N 2 2 357.462 0.725 50 0 FCAALP CCCC[N@H+]1CCn2nc(CNC(=O)[C@H]3[NH2+]CCc4nc[nH]c43)cc2C1 ZINC000426410767 489566403 /nfs/dbraw/zinc/56/64/03/489566403.db2.gz XNKQYNUHPJTOKJ-KRWDZBQOSA-N 2 2 357.462 0.725 50 0 FCAALP CCC[N@@H+]1CCCn2nc(CNS(=O)(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000082097698 519855210 /nfs/dbraw/zinc/85/52/10/519855210.db2.gz VLCMHMFXVFOLNK-UHFFFAOYSA-N 2 2 370.523 0.081 50 0 FCAALP CCC[N@H+]1CCCn2nc(CNS(=O)(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000082097698 519855212 /nfs/dbraw/zinc/85/52/12/519855212.db2.gz VLCMHMFXVFOLNK-UHFFFAOYSA-N 2 2 370.523 0.081 50 0 FCAALP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC001529187469 1267040690 /nfs/dbraw/zinc/04/06/90/1267040690.db2.gz SWDOTMBJJXJTKR-INIZCTEOSA-N 2 2 352.523 0.508 50 0 FCAALP c1ccc(OCC[NH+]2CCOCC2)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097436767 209181761 /nfs/dbraw/zinc/18/17/61/209181761.db2.gz XYTWHXBMSFEXDT-HXUWFJFHSA-N 3 2 374.529 0.877 50 0 FCAALP Cc1nc[nH]c1C[NH+]1CCC(c2nnc(CN3CC[NH+](C)CC3)n2C)CC1 ZINC000096141139 209120204 /nfs/dbraw/zinc/12/02/04/209120204.db2.gz AXJHEQIJCUVXDW-UHFFFAOYSA-N 2 2 372.521 0.974 50 0 FCAALP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000299738493 208324384 /nfs/dbraw/zinc/32/43/84/208324384.db2.gz BMDGZFREIFCLQS-FUHWJXTLSA-N 2 2 358.486 0.787 50 0 FCAALP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000299738493 208324391 /nfs/dbraw/zinc/32/43/91/208324391.db2.gz BMDGZFREIFCLQS-FUHWJXTLSA-N 2 2 358.486 0.787 50 0 FCAALP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CCC(=O)N2CC2CC[NH2+]CC2)C1 ZINC000072447879 208865441 /nfs/dbraw/zinc/86/54/41/208865441.db2.gz JQQHMGKJCOETTB-DLBZAZTESA-N 2 2 359.474 0.722 50 0 FCAALP CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000092081400 209017241 /nfs/dbraw/zinc/01/72/41/209017241.db2.gz VUAFGMNGBLDGNV-QGZVFWFLSA-N 2 2 359.474 0.639 50 0 FCAALP CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000092081400 209017243 /nfs/dbraw/zinc/01/72/43/209017243.db2.gz VUAFGMNGBLDGNV-QGZVFWFLSA-N 2 2 359.474 0.639 50 0 FCAALP CN(Cc1cccnc1)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077425821 132184761 /nfs/dbraw/zinc/18/47/61/132184761.db2.gz RBQFXKKELDTFBV-LSDHHAIUSA-N 2 2 374.470 0.083 50 0 FCAALP NC(=O)C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000095522392 132214176 /nfs/dbraw/zinc/21/41/76/132214176.db2.gz JPKIMYBTHSLFSZ-MRXNPFEDSA-N 2 2 359.474 0.708 50 0 FCAALP NC(=O)C[N@H+]1CCC[C@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000095522392 132214177 /nfs/dbraw/zinc/21/41/77/132214177.db2.gz JPKIMYBTHSLFSZ-MRXNPFEDSA-N 2 2 359.474 0.708 50 0 FCAALP NC(=O)C[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000095522391 132214261 /nfs/dbraw/zinc/21/42/61/132214261.db2.gz JPKIMYBTHSLFSZ-INIZCTEOSA-N 2 2 359.474 0.708 50 0 FCAALP NC(=O)C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000095522391 132214262 /nfs/dbraw/zinc/21/42/62/132214262.db2.gz JPKIMYBTHSLFSZ-INIZCTEOSA-N 2 2 359.474 0.708 50 0 FCAALP Nc1nc(N2CCC3(CC2)[NH2+]CCNC3=O)nc(NCc2ccccc2)[nH+]1 ZINC000067691283 136137385 /nfs/dbraw/zinc/13/73/85/136137385.db2.gz VIWIKSYKNPVJPI-UHFFFAOYSA-N 2 2 368.445 0.124 50 0 FCAALP [NH3+]C1(C(=O)NCc2cccnc2N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000067804571 136137550 /nfs/dbraw/zinc/13/75/50/136137550.db2.gz VVIYEQSXDWNBPQ-UHFFFAOYSA-N 2 2 352.442 0.911 50 0 FCAALP Cc1c[nH+]c(N2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C2)nc1N ZINC000071745562 136139851 /nfs/dbraw/zinc/13/98/51/136139851.db2.gz FNESXYZLFMSMJL-HZPDHXFCSA-N 2 2 369.473 0.524 50 0 FCAALP Nc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)[nH+]cn1 ZINC000071762973 136140694 /nfs/dbraw/zinc/14/06/94/136140694.db2.gz UJKDBJFLCGNLEL-HNNXBMFYSA-N 2 2 374.489 0.598 50 0 FCAALP Nc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)[nH+]cn1 ZINC000071762973 136140695 /nfs/dbraw/zinc/14/06/95/136140695.db2.gz UJKDBJFLCGNLEL-HNNXBMFYSA-N 2 2 374.489 0.598 50 0 FCAALP NC(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000051200049 488128260 /nfs/dbraw/zinc/12/82/60/488128260.db2.gz YEHWMKVPNSXFEA-UHFFFAOYSA-N 2 2 350.488 0.590 50 0 FCAALP C[C@@H]1C[C@@H](CC(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)NC(=S)N1 ZINC000067947555 488358621 /nfs/dbraw/zinc/35/86/21/488358621.db2.gz GBOCURPGQZGGKQ-CABCVRRESA-N 2 2 367.563 0.630 50 0 FCAALP C[C@@H]1C[C@@H](CC(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)NC(=S)N1 ZINC000067947555 488358624 /nfs/dbraw/zinc/35/86/24/488358624.db2.gz GBOCURPGQZGGKQ-CABCVRRESA-N 2 2 367.563 0.630 50 0 FCAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N2CCS(=O)(=O)CC2)c(C)[nH+]1 ZINC000071745346 488377137 /nfs/dbraw/zinc/37/71/37/488377137.db2.gz WZMNTZXVDSSHEG-STQMWFEESA-N 2 2 354.476 0.183 50 0 FCAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2CCS(=O)(=O)CC2)c(C)[nH+]1 ZINC000071745346 488377138 /nfs/dbraw/zinc/37/71/38/488377138.db2.gz WZMNTZXVDSSHEG-STQMWFEESA-N 2 2 354.476 0.183 50 0 FCAALP CCn1cc(C[NH+]2CCC(c3nnc(C[N@H+](C)CCO)n3C)CC2)cn1 ZINC000077287931 488410243 /nfs/dbraw/zinc/41/02/43/488410243.db2.gz HQIRXCBNTXTLTF-UHFFFAOYSA-N 2 2 361.494 0.835 50 0 FCAALP CCn1cc(C[NH+]2CCC(c3nnc(C[N@@H+](C)CCO)n3C)CC2)cn1 ZINC000077287931 488410245 /nfs/dbraw/zinc/41/02/45/488410245.db2.gz HQIRXCBNTXTLTF-UHFFFAOYSA-N 2 2 361.494 0.835 50 0 FCAALP C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(CC(C)(C)[NH+]1CCOCC1)C2 ZINC000219697726 488444159 /nfs/dbraw/zinc/44/41/59/488444159.db2.gz ZDALZWQGABLNGJ-SFHVURJKSA-N 2 2 365.522 0.795 50 0 FCAALP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@H+](CC(C)(C)N1CCOCC1)C2 ZINC000219697726 488444161 /nfs/dbraw/zinc/44/41/61/488444161.db2.gz ZDALZWQGABLNGJ-SFHVURJKSA-N 2 2 365.522 0.795 50 0 FCAALP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@@H+](CC(C)(C)N1CCOCC1)C2 ZINC000219697726 488444164 /nfs/dbraw/zinc/44/41/64/488444164.db2.gz ZDALZWQGABLNGJ-SFHVURJKSA-N 2 2 365.522 0.795 50 0 FCAALP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000240936823 488459679 /nfs/dbraw/zinc/45/96/79/488459679.db2.gz SEHZGUHBLAYGNA-KRWDZBQOSA-N 2 2 361.486 0.791 50 0 FCAALP C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)Cn2cc[nH+]c2)CC3)C1 ZINC000091725670 488468389 /nfs/dbraw/zinc/46/83/89/488468389.db2.gz FHAFZZDZZJYSEJ-MRXNPFEDSA-N 2 2 359.474 0.818 50 0 FCAALP C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)Cn2cc[nH+]c2)CC3)C1 ZINC000091725670 488468392 /nfs/dbraw/zinc/46/83/92/488468392.db2.gz FHAFZZDZZJYSEJ-MRXNPFEDSA-N 2 2 359.474 0.818 50 0 FCAALP O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCNC(=O)[C@H]1Cc1c[nH+]c[nH]1 ZINC000097499710 488492879 /nfs/dbraw/zinc/49/28/79/488492879.db2.gz NECMZFMGQZCRDN-OAHLLOKOSA-N 2 2 357.414 0.782 50 0 FCAALP O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCNC(=O)[C@H]1Cc1c[nH]c[nH+]1 ZINC000097499710 488492881 /nfs/dbraw/zinc/49/28/81/488492881.db2.gz NECMZFMGQZCRDN-OAHLLOKOSA-N 2 2 357.414 0.782 50 0 FCAALP C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000170591168 488813888 /nfs/dbraw/zinc/81/38/88/488813888.db2.gz NIZVIDDHXVZTRJ-FGTMMUONSA-N 2 2 374.533 0.873 50 0 FCAALP C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000170591168 488813889 /nfs/dbraw/zinc/81/38/89/488813889.db2.gz NIZVIDDHXVZTRJ-FGTMMUONSA-N 2 2 374.533 0.873 50 0 FCAALP CCCC[N@@H+]1CCn2nc(CNC(=O)[C@@H]3[NH2+]CCc4nc[nH]c43)cc2C1 ZINC000426410768 489566192 /nfs/dbraw/zinc/56/61/92/489566192.db2.gz XNKQYNUHPJTOKJ-QGZVFWFLSA-N 2 2 357.462 0.725 50 0 FCAALP CCCC[N@H+]1CCn2nc(CNC(=O)[C@@H]3[NH2+]CCc4nc[nH]c43)cc2C1 ZINC000426410768 489566197 /nfs/dbraw/zinc/56/61/97/489566197.db2.gz XNKQYNUHPJTOKJ-QGZVFWFLSA-N 2 2 357.462 0.725 50 0 FCAALP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2C)[C@H](O)C1 ZINC000426485543 489569984 /nfs/dbraw/zinc/56/99/84/489569984.db2.gz HPDNSASPEBARJH-IAGOWNOFSA-N 2 2 361.446 0.938 50 0 FCAALP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2C)[C@H](O)C1 ZINC000426485543 489569986 /nfs/dbraw/zinc/56/99/86/489569986.db2.gz HPDNSASPEBARJH-IAGOWNOFSA-N 2 2 361.446 0.938 50 0 FCAALP O=C(NCC[N@H+]1CCCC[C@@H]1CO)C1([NH+]2CCOCC2)CCCCC1 ZINC000670443388 493568373 /nfs/dbraw/zinc/56/83/73/493568373.db2.gz DSDAIPSJHKNYJR-QGZVFWFLSA-N 2 2 353.507 0.985 50 0 FCAALP O=C(NCC[N@@H+]1CCCC[C@@H]1CO)C1([NH+]2CCOCC2)CCCCC1 ZINC000670443388 493568376 /nfs/dbraw/zinc/56/83/76/493568376.db2.gz DSDAIPSJHKNYJR-QGZVFWFLSA-N 2 2 353.507 0.985 50 0 FCAALP CCc1[nH+]ccn1CC(=O)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091321757 522578761 /nfs/dbraw/zinc/57/87/61/522578761.db2.gz SLUFQUZIDFVIMB-HZPDHXFCSA-N 2 2 350.463 0.235 50 0 FCAALP [NH3+][C@H]1CN(C(=O)C[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1c1ccccc1 ZINC000091270115 527417335 /nfs/dbraw/zinc/41/73/35/527417335.db2.gz FXRAYNOGHDLQSL-MSOLQXFVSA-N 2 2 366.469 0.552 50 0 FCAALP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105162882 1210962551 /nfs/dbraw/zinc/96/25/51/1210962551.db2.gz RTKGEILPFZPYME-QGZVFWFLSA-N 2 2 373.505 0.478 50 0 FCAALP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105162882 1210962556 /nfs/dbraw/zinc/96/25/56/1210962556.db2.gz RTKGEILPFZPYME-QGZVFWFLSA-N 2 2 373.505 0.478 50 0 FCAALP O=C(NCCc1c[nH+]c2ccccn12)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067868925 1218115714 /nfs/dbraw/zinc/11/57/14/1218115714.db2.gz QLISTJIWKVGCBX-AWEZNQCLSA-N 2 2 353.430 0.898 50 0 FCAALP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)CC1 ZINC001704339147 1286228679 /nfs/dbraw/zinc/22/86/79/1286228679.db2.gz OGKALKNGYYNUEZ-YLJYHZDGSA-N 2 2 368.481 0.844 50 0 FCAALP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)CC1 ZINC001704339147 1286228688 /nfs/dbraw/zinc/22/86/88/1286228688.db2.gz OGKALKNGYYNUEZ-YLJYHZDGSA-N 2 2 368.481 0.844 50 0 FCAALP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000238098949 209358726 /nfs/dbraw/zinc/35/87/26/209358726.db2.gz RFLNIKCORUQHHQ-HOCLYGCPSA-N 2 2 353.850 0.586 50 0 FCAALP C[NH+](C)CCCNc1c(=O)c(=O)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000101695709 209229223 /nfs/dbraw/zinc/22/92/23/209229223.db2.gz WSQFVTHTMOMQKT-UHFFFAOYSA-N 2 2 356.470 0.968 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](Cc2cncnc2)CC1 ZINC000096139960 209120337 /nfs/dbraw/zinc/12/03/37/209120337.db2.gz AHXNMOGXOQILSR-UHFFFAOYSA-N 2 2 371.489 0.941 50 0 FCAALP Cc1cccc(N2CC[NH+](CCCNS(=O)(=O)CC[NH+](C)C)CC2)c1 ZINC000096008989 132216940 /nfs/dbraw/zinc/21/69/40/132216940.db2.gz QPZFITGJSMUQPV-UHFFFAOYSA-N 2 2 368.547 0.988 50 0 FCAALP O[C@H]1CN(c2[nH+]cnc3[nH]ccc32)C[C@@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000072153196 136142862 /nfs/dbraw/zinc/14/28/62/136142862.db2.gz HYIPIUHYHGCITM-HOTGVXAUSA-N 2 2 365.441 0.725 50 0 FCAALP CCC[NH+]1CCC([NH2+]Cc2cc3n(n2)CCN(S(C)(=O)=O)C3)CC1 ZINC000299776067 488873469 /nfs/dbraw/zinc/87/34/69/488873469.db2.gz NDIXDLWFFNSNEO-UHFFFAOYSA-N 2 2 355.508 0.622 50 0 FCAALP Cc1ccc(F)c(C[N@@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c1 ZINC000014743109 487574117 /nfs/dbraw/zinc/57/41/17/487574117.db2.gz ZGEIQWPTADRKEZ-DLBZAZTESA-N 2 2 362.449 0.774 50 0 FCAALP Cc1ccc(F)c(C[N@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c1 ZINC000014743109 487574126 /nfs/dbraw/zinc/57/41/26/487574126.db2.gz ZGEIQWPTADRKEZ-DLBZAZTESA-N 2 2 362.449 0.774 50 0 FCAALP O=C1CNC(=O)[C@H]2C[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)CCN12 ZINC000065372907 488317263 /nfs/dbraw/zinc/31/72/63/488317263.db2.gz DAMFQVOGRDLYCE-GOSISDBHSA-N 2 2 356.470 0.336 50 0 FCAALP O=C1CNC(=O)[C@H]2C[N@H+](C3CC[NH+](CCc4ccccc4)CC3)CCN12 ZINC000065372907 488317265 /nfs/dbraw/zinc/31/72/65/488317265.db2.gz DAMFQVOGRDLYCE-GOSISDBHSA-N 2 2 356.470 0.336 50 0 FCAALP C[NH+]1CCN(CC2(CNc3nc(N4CCC[C@@H](O)C4)cc[nH+]3)CC2)CC1 ZINC000065528781 488319021 /nfs/dbraw/zinc/31/90/21/488319021.db2.gz WGNIDNJJIFLUDB-MRXNPFEDSA-N 2 2 360.506 0.877 50 0 FCAALP CN1CC[NH+](CC2(CNc3nc(N4CCC[C@@H](O)C4)cc[nH+]3)CC2)CC1 ZINC000065528781 488319024 /nfs/dbraw/zinc/31/90/24/488319024.db2.gz WGNIDNJJIFLUDB-MRXNPFEDSA-N 2 2 360.506 0.877 50 0 FCAALP Cc1c[nH+]c(N2C[C@H]3OC(=O)N(CCC[NH+]4CCOCC4)[C@H]3C2)nc1N ZINC000067447022 488351411 /nfs/dbraw/zinc/35/14/11/488351411.db2.gz QYIDMVLIKFPXOU-UONOGXRCSA-N 2 2 362.434 0.099 50 0 FCAALP COC(=O)c1cn([C@@H]2C[NH2+][C@H](C(=O)Nc3c[nH+]c4n3CCCC4)C2)nn1 ZINC000071315446 488377223 /nfs/dbraw/zinc/37/72/23/488377223.db2.gz GNOOCOKJIZZJSA-QWRGUYRKSA-N 2 2 359.390 0.139 50 0 FCAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CC(O)C1 ZINC000071760107 488377334 /nfs/dbraw/zinc/37/73/34/488377334.db2.gz TUHMZGCLRQYHKB-KRWDZBQOSA-N 2 2 358.486 0.961 50 0 FCAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CC(O)C1 ZINC000071760107 488377335 /nfs/dbraw/zinc/37/73/35/488377335.db2.gz TUHMZGCLRQYHKB-KRWDZBQOSA-N 2 2 358.486 0.961 50 0 FCAALP CNC(=O)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071759036 488377407 /nfs/dbraw/zinc/37/74/07/488377407.db2.gz VPFIYFVUPYDIEI-KRWDZBQOSA-N 2 2 373.501 0.620 50 0 FCAALP CNC(=O)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071759036 488377408 /nfs/dbraw/zinc/37/74/08/488377408.db2.gz VPFIYFVUPYDIEI-KRWDZBQOSA-N 2 2 373.501 0.620 50 0 FCAALP CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000072150655 488378274 /nfs/dbraw/zinc/37/82/74/488378274.db2.gz AVWNHDYBZQIHQP-GOSISDBHSA-N 2 2 373.501 0.761 50 0 FCAALP CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000072150655 488378275 /nfs/dbraw/zinc/37/82/75/488378275.db2.gz AVWNHDYBZQIHQP-GOSISDBHSA-N 2 2 373.501 0.761 50 0 FCAALP C[NH2+]CC(=O)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072163296 488378781 /nfs/dbraw/zinc/37/87/81/488378781.db2.gz CLMTYAYYTNJRGY-KRWDZBQOSA-N 2 2 374.485 0.743 50 0 FCAALP CN(Cc1[nH]cc[nH+]1)c1ncc(S(C)(=O)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000072435415 488380907 /nfs/dbraw/zinc/38/09/07/488380907.db2.gz FRMNQQQGKAZVKN-NSHDSACASA-N 2 2 350.448 0.707 50 0 FCAALP Cn1c(CN2CCC(O)CC2)nnc1C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000077470424 488413871 /nfs/dbraw/zinc/41/38/71/488413871.db2.gz LIRIPXJBDJOTNH-UHFFFAOYSA-N 2 2 350.511 0.689 50 0 FCAALP O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000218840179 488443097 /nfs/dbraw/zinc/44/30/97/488443097.db2.gz CFQFVBDINACHPC-LJQANCHMSA-N 2 2 368.485 0.912 50 0 FCAALP O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000218840179 488443100 /nfs/dbraw/zinc/44/31/00/488443100.db2.gz CFQFVBDINACHPC-LJQANCHMSA-N 2 2 368.485 0.912 50 0 FCAALP CN(C)c1ncc(C[N@@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)cn1 ZINC000221200367 488445603 /nfs/dbraw/zinc/44/56/03/488445603.db2.gz VNRPWDOWXPLKDP-QGZVFWFLSA-N 2 2 359.478 0.740 50 0 FCAALP CN(C)c1ncc(C[N@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)cn1 ZINC000221200367 488445605 /nfs/dbraw/zinc/44/56/05/488445605.db2.gz VNRPWDOWXPLKDP-QGZVFWFLSA-N 2 2 359.478 0.740 50 0 FCAALP COCCn1cncc1C[N@@H+]1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000223738010 488448929 /nfs/dbraw/zinc/44/89/29/488448929.db2.gz GXNSHUQFXBYDME-SFHVURJKSA-N 2 2 362.478 0.727 50 0 FCAALP COCCn1cncc1C[N@H+]1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000223738010 488448930 /nfs/dbraw/zinc/44/89/30/488448930.db2.gz GXNSHUQFXBYDME-SFHVURJKSA-N 2 2 362.478 0.727 50 0 FCAALP C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)Cn2cc[nH+]c2)CC3)C1 ZINC000091725667 488468173 /nfs/dbraw/zinc/46/81/73/488468173.db2.gz FHAFZZDZZJYSEJ-INIZCTEOSA-N 2 2 359.474 0.818 50 0 FCAALP C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)Cn2cc[nH+]c2)CC3)C1 ZINC000091725667 488468178 /nfs/dbraw/zinc/46/81/78/488468178.db2.gz FHAFZZDZZJYSEJ-INIZCTEOSA-N 2 2 359.474 0.818 50 0 FCAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC000091808692 488469903 /nfs/dbraw/zinc/46/99/03/488469903.db2.gz JMKKJJFUNRKZBI-KRWDZBQOSA-N 2 2 374.485 0.537 50 0 FCAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000091808692 488469906 /nfs/dbraw/zinc/46/99/06/488469906.db2.gz JMKKJJFUNRKZBI-KRWDZBQOSA-N 2 2 374.485 0.537 50 0 FCAALP O=C1C[C@@]2(CC[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)C(=O)N1 ZINC000082126644 527025901 /nfs/dbraw/zinc/02/59/01/527025901.db2.gz HIIBDGLJOBGJSQ-HXUWFJFHSA-N 2 2 373.453 0.636 50 0 FCAALP O=C1C[C@@]2(CC[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)C(=O)N1 ZINC000082126644 527025904 /nfs/dbraw/zinc/02/59/04/527025904.db2.gz HIIBDGLJOBGJSQ-HXUWFJFHSA-N 2 2 373.453 0.636 50 0 FCAALP CCc1cc(N2CC[NH2+][C@H](C(=O)NCc3ccncc3)C2)nc(N(C)C)[nH+]1 ZINC000072171644 536146531 /nfs/dbraw/zinc/14/65/31/536146531.db2.gz BBPYVOGDACFUGC-INIZCTEOSA-N 2 2 369.473 0.595 50 0 FCAALP O[C@H]1CN(Cc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1[NH+]1CCCCC1 ZINC000065422979 1198948114 /nfs/dbraw/zinc/94/81/14/1198948114.db2.gz DHIHZPGVWQEFEF-OALUTQOASA-N 2 2 363.506 0.246 50 0 FCAALP NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)C1 ZINC000952976218 1206216951 /nfs/dbraw/zinc/21/69/51/1206216951.db2.gz VBFMIGHMKNFGLX-SQNIBIBYSA-N 2 2 356.470 0.669 50 0 FCAALP NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)C1 ZINC000952976218 1206216954 /nfs/dbraw/zinc/21/69/54/1206216954.db2.gz VBFMIGHMKNFGLX-SQNIBIBYSA-N 2 2 356.470 0.669 50 0 FCAALP NC(=O)C[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)C1 ZINC000952976218 1206216956 /nfs/dbraw/zinc/21/69/56/1206216956.db2.gz VBFMIGHMKNFGLX-SQNIBIBYSA-N 2 2 356.470 0.669 50 0 FCAALP NC(=O)C[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)C1 ZINC000952976218 1206216959 /nfs/dbraw/zinc/21/69/59/1206216959.db2.gz VBFMIGHMKNFGLX-SQNIBIBYSA-N 2 2 356.470 0.669 50 0 FCAALP COCC[N@@H+]1CC[C@@H](CN(C)c2cc(N)[nH+]c(N3CCOCC3)n2)C1 ZINC001529100343 1267027581 /nfs/dbraw/zinc/02/75/81/1267027581.db2.gz QNMNPAUALIENFM-AWEZNQCLSA-N 2 2 350.467 0.300 50 0 FCAALP COCC[N@H+]1CC[C@@H](CN(C)c2cc(N)[nH+]c(N3CCOCC3)n2)C1 ZINC001529100343 1267027587 /nfs/dbraw/zinc/02/75/87/1267027587.db2.gz QNMNPAUALIENFM-AWEZNQCLSA-N 2 2 350.467 0.300 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1)CC[N@@H+]2C ZINC000106727521 209274558 /nfs/dbraw/zinc/27/45/58/209274558.db2.gz LLNFKKKMXMIRTO-MSOLQXFVSA-N 2 2 370.497 0.755 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1)CC[N@H+]2C ZINC000106727521 209274560 /nfs/dbraw/zinc/27/45/60/209274560.db2.gz LLNFKKKMXMIRTO-MSOLQXFVSA-N 2 2 370.497 0.755 50 0 FCAALP C[N@H+](CC(=O)N1CCN(C(=O)COc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000097730249 209194502 /nfs/dbraw/zinc/19/45/02/209194502.db2.gz FZMRIBSPIQQLES-UHFFFAOYSA-N 2 2 374.485 0.420 50 0 FCAALP C[N@@H+](CC(=O)N1CCN(C(=O)COc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000097730249 209194505 /nfs/dbraw/zinc/19/45/05/209194505.db2.gz FZMRIBSPIQQLES-UHFFFAOYSA-N 2 2 374.485 0.420 50 0 FCAALP CC1=[NH+]N(CC[NH+]2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000005147971 207082969 /nfs/dbraw/zinc/08/29/69/207082969.db2.gz BEPFHQRKXIWAQZ-UHFFFAOYSA-N 2 2 359.434 0.116 50 0 FCAALP CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012021991 207334273 /nfs/dbraw/zinc/33/42/73/207334273.db2.gz MYJIPVFAZNOIMF-MRXNPFEDSA-N 2 2 359.474 0.577 50 0 FCAALP CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012021991 207334277 /nfs/dbraw/zinc/33/42/77/207334277.db2.gz MYJIPVFAZNOIMF-MRXNPFEDSA-N 2 2 359.474 0.577 50 0 FCAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000095385491 209043719 /nfs/dbraw/zinc/04/37/19/209043719.db2.gz SAENHHDFVIINOG-QGZVFWFLSA-N 3 2 363.506 0.919 50 0 FCAALP CCCS(=O)(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)nc[nH+]2)CC1 ZINC000072117461 136141968 /nfs/dbraw/zinc/14/19/68/136141968.db2.gz ONUFICDHRIBHKB-UHFFFAOYSA-N 2 2 368.507 0.090 50 0 FCAALP CNc1cc[nH+]c(N2CCC(n3cc(C[N@@H+]4CC[C@@H](O)C4)nn3)CC2)n1 ZINC000023369172 136152869 /nfs/dbraw/zinc/15/28/69/136152869.db2.gz ILIJHZWATQDPEZ-OAHLLOKOSA-N 2 2 358.450 0.518 50 0 FCAALP CNc1cc[nH+]c(N2CCC(n3cc(C[N@H+]4CC[C@@H](O)C4)nn3)CC2)n1 ZINC000023369172 136152870 /nfs/dbraw/zinc/15/28/70/136152870.db2.gz ILIJHZWATQDPEZ-OAHLLOKOSA-N 2 2 358.450 0.518 50 0 FCAALP Cc1nc2c(c(=O)n1C)C[N@H+](Cc1ccc(OC[C@@H](O)C[NH+](C)C)cc1)C2 ZINC000095530448 209078506 /nfs/dbraw/zinc/07/85/06/209078506.db2.gz CMHUXPQZBZUURT-INIZCTEOSA-N 2 2 372.469 0.906 50 0 FCAALP Cc1nc2c(c(=O)n1C)C[N@@H+](Cc1ccc(OC[C@@H](O)C[NH+](C)C)cc1)C2 ZINC000095530448 209078507 /nfs/dbraw/zinc/07/85/07/209078507.db2.gz CMHUXPQZBZUURT-INIZCTEOSA-N 2 2 372.469 0.906 50 0 FCAALP Cc1ccsc1C[N@@H+]1CCN2C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)[C@H]2C1 ZINC000014534226 487573682 /nfs/dbraw/zinc/57/36/82/487573682.db2.gz NLVMNWCWQBBFKI-UONOGXRCSA-N 2 2 359.455 0.534 50 0 FCAALP Cc1ccsc1C[N@H+]1CCN2C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)[C@H]2C1 ZINC000014534226 487573690 /nfs/dbraw/zinc/57/36/90/487573690.db2.gz NLVMNWCWQBBFKI-UONOGXRCSA-N 2 2 359.455 0.534 50 0 FCAALP Cc1ccsc1C[N@@H+]1CCN2C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)[C@H]2C1 ZINC000014534226 487573697 /nfs/dbraw/zinc/57/36/97/487573697.db2.gz NLVMNWCWQBBFKI-UONOGXRCSA-N 2 2 359.455 0.534 50 0 FCAALP Cc1ccsc1C[N@H+]1CCN2C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)[C@H]2C1 ZINC000014534226 487573702 /nfs/dbraw/zinc/57/37/02/487573702.db2.gz NLVMNWCWQBBFKI-UONOGXRCSA-N 2 2 359.455 0.534 50 0 FCAALP O[C@@H](COc1cccc(C[NH2+]CCc2cnccn2)c1)C[NH+]1CCOCC1 ZINC000023337631 487633782 /nfs/dbraw/zinc/63/37/82/487633782.db2.gz HTJVRSIOIMYVTC-LJQANCHMSA-N 2 2 372.469 0.881 50 0 FCAALP CC[C@H]1C(=O)N(C)CC[N@H+]1Cc1cn(CCN2CC[NH+](C)CC2)nc1C ZINC000065385564 488317882 /nfs/dbraw/zinc/31/78/82/488317882.db2.gz OCSVWMRXSAXQMJ-SFHVURJKSA-N 2 2 362.522 0.492 50 0 FCAALP CC[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cn(CCN2CC[NH+](C)CC2)nc1C ZINC000065385564 488317884 /nfs/dbraw/zinc/31/78/84/488317884.db2.gz OCSVWMRXSAXQMJ-SFHVURJKSA-N 2 2 362.522 0.492 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)c1ccc3c(c1)no[n+]3[O-])CCC[N@@H+]2C ZINC000067675309 488355002 /nfs/dbraw/zinc/35/50/02/488355002.db2.gz QMGXEXJFOQGONV-UHFFFAOYSA-N 2 2 359.430 0.703 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)c1ccc3c(c1)no[n+]3[O-])CCC[N@H+]2C ZINC000067675309 488355003 /nfs/dbraw/zinc/35/50/03/488355003.db2.gz QMGXEXJFOQGONV-UHFFFAOYSA-N 2 2 359.430 0.703 50 0 FCAALP C[N@@H+]1CCNC(=O)C12CCN(C(=O)[C@@H]1CCC[NH+](Cc3ccco3)C1)CC2 ZINC000067908985 488358221 /nfs/dbraw/zinc/35/82/21/488358221.db2.gz PLIKYHIUEBRUAE-MRXNPFEDSA-N 2 2 374.485 0.914 50 0 FCAALP C[N@H+]1CCNC(=O)C12CCN(C(=O)[C@@H]1CCC[NH+](Cc3ccco3)C1)CC2 ZINC000067908985 488358222 /nfs/dbraw/zinc/35/82/22/488358222.db2.gz PLIKYHIUEBRUAE-MRXNPFEDSA-N 2 2 374.485 0.914 50 0 FCAALP C[NH+]1CCNC(=O)C12CCN(C(=O)[C@@H]1CCC[N@H+](Cc3ccco3)C1)CC2 ZINC000067908985 488358223 /nfs/dbraw/zinc/35/82/23/488358223.db2.gz PLIKYHIUEBRUAE-MRXNPFEDSA-N 2 2 374.485 0.914 50 0 FCAALP C[NH+]1CCNC(=O)C12CCN(C(=O)[C@@H]1CCC[N@@H+](Cc3ccco3)C1)CC2 ZINC000067908985 488358224 /nfs/dbraw/zinc/35/82/24/488358224.db2.gz PLIKYHIUEBRUAE-MRXNPFEDSA-N 2 2 374.485 0.914 50 0 FCAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CC(O)C1 ZINC000071760108 488377247 /nfs/dbraw/zinc/37/72/47/488377247.db2.gz TUHMZGCLRQYHKB-QGZVFWFLSA-N 2 2 358.486 0.961 50 0 FCAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CC(O)C1 ZINC000071760108 488377248 /nfs/dbraw/zinc/37/72/48/488377248.db2.gz TUHMZGCLRQYHKB-QGZVFWFLSA-N 2 2 358.486 0.961 50 0 FCAALP CC[NH+]1CCN(CCN2CC3(CC[NH+](CC(C)(C)[NH3+])CC3)OC2=O)CC1 ZINC000072427859 488380630 /nfs/dbraw/zinc/38/06/30/488380630.db2.gz YAPBJZDMSSTOEX-UHFFFAOYSA-N 3 2 367.538 0.648 50 0 FCAALP C[N@H+](CC(=O)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1)Cc1ccccn1 ZINC000077355877 488411671 /nfs/dbraw/zinc/41/16/71/488411671.db2.gz IGLCOBYBNPKZIG-LJQANCHMSA-N 2 2 362.474 0.199 50 0 FCAALP C[N@@H+](CC(=O)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1)Cc1ccccn1 ZINC000077355877 488411672 /nfs/dbraw/zinc/41/16/72/488411672.db2.gz IGLCOBYBNPKZIG-LJQANCHMSA-N 2 2 362.474 0.199 50 0 FCAALP O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000218840258 488443320 /nfs/dbraw/zinc/44/33/20/488443320.db2.gz CFQFVBDINACHPC-IBGZPJMESA-N 2 2 368.485 0.912 50 0 FCAALP O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000218840258 488443324 /nfs/dbraw/zinc/44/33/24/488443324.db2.gz CFQFVBDINACHPC-IBGZPJMESA-N 2 2 368.485 0.912 50 0 FCAALP CNC(=O)C1C[NH+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000225387493 488450226 /nfs/dbraw/zinc/45/02/26/488450226.db2.gz NUQBRGSDZYWTAF-HNNXBMFYSA-N 2 2 358.486 0.834 50 0 FCAALP CCc1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000244673908 488460658 /nfs/dbraw/zinc/46/06/58/488460658.db2.gz HXVHDHCJXDWFAN-IAGOWNOFSA-N 2 2 357.458 0.982 50 0 FCAALP CCc1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000244673908 488460660 /nfs/dbraw/zinc/46/06/60/488460660.db2.gz HXVHDHCJXDWFAN-IAGOWNOFSA-N 2 2 357.458 0.982 50 0 FCAALP C[NH+]1CCc2nc[nH]c2C12CCN(C(=O)c1[nH]nc3c1C[N@H+](C)CC3)CC2 ZINC000091445044 488463665 /nfs/dbraw/zinc/46/36/65/488463665.db2.gz HJDJRMLKWPAPNV-UHFFFAOYSA-N 2 2 369.473 0.740 50 0 FCAALP C[NH+]1CCc2nc[nH]c2C12CCN(C(=O)c1[nH]nc3c1C[N@@H+](C)CC3)CC2 ZINC000091445044 488463666 /nfs/dbraw/zinc/46/36/66/488463666.db2.gz HJDJRMLKWPAPNV-UHFFFAOYSA-N 2 2 369.473 0.740 50 0 FCAALP C[NH+]1CCc2n[nH]c(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)c2C1 ZINC000091445044 488463669 /nfs/dbraw/zinc/46/36/69/488463669.db2.gz HJDJRMLKWPAPNV-UHFFFAOYSA-N 2 2 369.473 0.740 50 0 FCAALP C[NH+]1CCc2n[nH]c(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@@H+]4C)c2C1 ZINC000091445044 488463671 /nfs/dbraw/zinc/46/36/71/488463671.db2.gz HJDJRMLKWPAPNV-UHFFFAOYSA-N 2 2 369.473 0.740 50 0 FCAALP [NH3+][C@H]1C[C@@H](c2nnc(C[NH2+]CCS(=O)(=O)N3CCCC3)n2C2CC2)C1 ZINC000253394006 488519777 /nfs/dbraw/zinc/51/97/77/488519777.db2.gz PXCRFZNEFFWPEW-BETUJISGSA-N 2 2 368.507 0.333 50 0 FCAALP Cc1cc(=O)n(CC[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(=O)[nH]1 ZINC000253537426 488521016 /nfs/dbraw/zinc/52/10/16/488521016.db2.gz XZLUTQHVCVUEEC-UHFFFAOYSA-N 2 2 363.462 0.063 50 0 FCAALP C[NH+](C)[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)n2)C[C@@H]1n1ccnn1 ZINC000685940082 571099532 /nfs/dbraw/zinc/09/95/32/571099532.db2.gz MBDPWJWLKGFAJP-CABCVRRESA-N 2 2 352.402 0.486 50 0 FCAALP CN(C)c1nc(N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)c2c([nH+]1)CCCC2 ZINC001704339322 1286228392 /nfs/dbraw/zinc/22/83/92/1286228392.db2.gz QTCBOQIEENHIKY-IRXDYDNUSA-N 2 2 360.506 0.848 50 0 FCAALP C[N@@H+]1CCN(C(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)CC1(C)C ZINC000827945823 836535259 /nfs/dbraw/zinc/53/52/59/836535259.db2.gz UECNXVNJVQQLNN-HNNXBMFYSA-N 2 2 357.520 0.438 50 0 FCAALP C[N@H+]1CCN(C(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)CC1(C)C ZINC000827945823 836535266 /nfs/dbraw/zinc/53/52/66/836535266.db2.gz UECNXVNJVQQLNN-HNNXBMFYSA-N 2 2 357.520 0.438 50 0 FCAALP O=C(CC1=CSC2=[NH+]CCCN12)N1CC[NH+](CCn2cncn2)CC1 ZINC000102732645 209240353 /nfs/dbraw/zinc/24/03/53/209240353.db2.gz WWVMFVCVXCQHJD-UHFFFAOYSA-N 2 2 361.475 0.462 50 0 FCAALP C1COCCOCC[NH+](P2OCCO2)CCOCCOCC[NH2+]1 ZINC000004772902 207048159 /nfs/dbraw/zinc/04/81/59/207048159.db2.gz GLQCMKOGMKAIEU-UHFFFAOYSA-N 2 2 352.368 0.232 50 0 FCAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000034065323 208101997 /nfs/dbraw/zinc/10/19/97/208101997.db2.gz SUMPYDPSTNYANT-CVEARBPZSA-N 2 2 374.441 0.649 50 0 FCAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000034065324 208103231 /nfs/dbraw/zinc/10/32/31/208103231.db2.gz SUMPYDPSTNYANT-HOTGVXAUSA-N 2 2 374.441 0.649 50 0 FCAALP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091931687 209006424 /nfs/dbraw/zinc/00/64/24/209006424.db2.gz MNMOKPVNTQIBKT-LSDHHAIUSA-N 2 2 361.471 0.817 50 0 FCAALP CSc1nc(N)cc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)[nH+]1 ZINC000095355806 209024267 /nfs/dbraw/zinc/02/42/67/209024267.db2.gz SMWDWDBGSISITH-ZIAGYGMSSA-N 2 2 367.519 0.530 50 0 FCAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000095366202 209030980 /nfs/dbraw/zinc/03/09/80/209030980.db2.gz OYJZUZHTTPHYSL-KRWDZBQOSA-N 2 2 363.506 0.873 50 0 FCAALP CCC1CCN(c2nc(N3CC[NH2+][C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)CC1 ZINC000077298312 132179686 /nfs/dbraw/zinc/17/96/86/132179686.db2.gz AWUOLIYPRNKXNA-LSDHHAIUSA-N 2 2 365.503 0.678 50 0 FCAALP O=S1(=O)C[C@@H]2[NH2+]CCN(c3cc[nH+]c(N4Cc5ccccc5C4)n3)[C@@H]2C1 ZINC000077438728 132185447 /nfs/dbraw/zinc/18/54/47/132185447.db2.gz JUDIBKRWCHMYHP-JKSUJKDBSA-N 2 2 371.466 0.572 50 0 FCAALP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000229741328 132288321 /nfs/dbraw/zinc/28/83/21/132288321.db2.gz UUGHHPJHYYXDDR-CVEARBPZSA-N 2 2 374.489 0.499 50 0 FCAALP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000229741328 132288322 /nfs/dbraw/zinc/28/83/22/132288322.db2.gz UUGHHPJHYYXDDR-CVEARBPZSA-N 2 2 374.489 0.499 50 0 FCAALP COc1cc(N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)nc(N)[nH+]1 ZINC000072406819 136145107 /nfs/dbraw/zinc/14/51/07/136145107.db2.gz QQJCKWFJBCRYSX-SFHVURJKSA-N 2 2 362.478 0.838 50 0 FCAALP COc1cc(N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)[nH+]c(N)n1 ZINC000072406819 136145108 /nfs/dbraw/zinc/14/51/08/136145108.db2.gz QQJCKWFJBCRYSX-SFHVURJKSA-N 2 2 362.478 0.838 50 0 FCAALP CCc1cc(N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)nc(N(C)C)[nH+]1 ZINC000299781199 488873422 /nfs/dbraw/zinc/87/34/22/488873422.db2.gz KPNHQWHVKOHCBN-ZIAGYGMSSA-N 2 2 350.467 0.040 50 0 FCAALP CCc1cc(N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)nc(N(C)C)[nH+]1 ZINC000299781199 488873424 /nfs/dbraw/zinc/87/34/24/488873424.db2.gz KPNHQWHVKOHCBN-ZIAGYGMSSA-N 2 2 350.467 0.040 50 0 FCAALP CC[NH+]1CCN(C2=[NH+][C@@H](C(=O)Nc3cccc(OC)c3)CC(=O)N2)CC1 ZINC000019528118 487603745 /nfs/dbraw/zinc/60/37/45/487603745.db2.gz YYZOZNNSHDILKH-OAHLLOKOSA-N 2 2 359.430 0.516 50 0 FCAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000067974876 488358964 /nfs/dbraw/zinc/35/89/64/488358964.db2.gz WUAUPIKPLBHXHF-KRWDZBQOSA-N 2 2 363.506 0.859 50 0 FCAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000067974876 488358967 /nfs/dbraw/zinc/35/89/67/488358967.db2.gz WUAUPIKPLBHXHF-KRWDZBQOSA-N 2 2 363.506 0.859 50 0 FCAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCC(N)=O)CC3)CC2)n1 ZINC000071615272 488377220 /nfs/dbraw/zinc/37/72/20/488377220.db2.gz DFJOHVJXIPEGCZ-UHFFFAOYSA-N 2 2 373.501 0.668 50 0 FCAALP CNC(=O)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071759035 488377276 /nfs/dbraw/zinc/37/72/76/488377276.db2.gz VPFIYFVUPYDIEI-QGZVFWFLSA-N 2 2 373.501 0.620 50 0 FCAALP CNC(=O)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071759035 488377277 /nfs/dbraw/zinc/37/72/77/488377277.db2.gz VPFIYFVUPYDIEI-QGZVFWFLSA-N 2 2 373.501 0.620 50 0 FCAALP C[NH+]1CCN(C(=O)[C@H]2CN(Cc3c(Cl)cncc3Cl)CC[NH2+]2)CC1 ZINC000072129277 488377954 /nfs/dbraw/zinc/37/79/54/488377954.db2.gz AEMULJWKFDBIMG-OAHLLOKOSA-N 2 2 372.300 0.936 50 0 FCAALP C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCN2C(=O)CCCCc2ccccc2)CC1 ZINC000072154589 488378581 /nfs/dbraw/zinc/37/85/81/488378581.db2.gz RTGIUNLDNSEFOB-LJQANCHMSA-N 2 2 372.513 0.974 50 0 FCAALP Cc1nn(CCO)cc1C[N@H+]1CCC[C@H](c2nnc(C[NH+](C)C)n2C)C1 ZINC000072409047 488379950 /nfs/dbraw/zinc/37/99/50/488379950.db2.gz ZOOKUNINTQKRNM-HNNXBMFYSA-N 2 2 361.494 0.754 50 0 FCAALP Cc1nn(CCO)cc1C[N@@H+]1CCC[C@H](c2nnc(C[NH+](C)C)n2C)C1 ZINC000072409047 488379951 /nfs/dbraw/zinc/37/99/51/488379951.db2.gz ZOOKUNINTQKRNM-HNNXBMFYSA-N 2 2 361.494 0.754 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000072423054 488380388 /nfs/dbraw/zinc/38/03/88/488380388.db2.gz SYHADOWZVFWNLN-HNNXBMFYSA-N 3 2 362.522 0.703 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000072423054 488380389 /nfs/dbraw/zinc/38/03/89/488380389.db2.gz SYHADOWZVFWNLN-HNNXBMFYSA-N 3 2 362.522 0.703 50 0 FCAALP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000074187353 488388726 /nfs/dbraw/zinc/38/87/26/488388726.db2.gz CEKXFQKSXSJUMO-KRWDZBQOSA-N 2 2 359.474 0.136 50 0 FCAALP CN1CC[NH+](CCOc2ccccc2C[N@@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000216225867 488441145 /nfs/dbraw/zinc/44/11/45/488441145.db2.gz YHCOWDNWIWKKLH-HXUWFJFHSA-N 2 2 363.502 0.632 50 0 FCAALP CN1CC[NH+](CCOc2ccccc2C[N@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000216225867 488441148 /nfs/dbraw/zinc/44/11/48/488441148.db2.gz YHCOWDNWIWKKLH-HXUWFJFHSA-N 2 2 363.502 0.632 50 0 FCAALP O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CC[NH+](CCOCCO)CC1 ZINC000216089204 488441364 /nfs/dbraw/zinc/44/13/64/488441364.db2.gz AFGQLMYMWXSFJQ-LJQANCHMSA-N 2 2 361.486 0.920 50 0 FCAALP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(CC(C)(C)[NH+]1CCOCC1)C2 ZINC000219697648 488444392 /nfs/dbraw/zinc/44/43/92/488444392.db2.gz ZDALZWQGABLNGJ-GOSISDBHSA-N 2 2 365.522 0.795 50 0 FCAALP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@H+](CC(C)(C)N1CCOCC1)C2 ZINC000219697648 488444393 /nfs/dbraw/zinc/44/43/93/488444393.db2.gz ZDALZWQGABLNGJ-GOSISDBHSA-N 2 2 365.522 0.795 50 0 FCAALP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@@H+](CC(C)(C)N1CCOCC1)C2 ZINC000219697648 488444394 /nfs/dbraw/zinc/44/43/94/488444394.db2.gz ZDALZWQGABLNGJ-GOSISDBHSA-N 2 2 365.522 0.795 50 0 FCAALP CC[N@@H+]1CCC[C@H](C[NH+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)C1 ZINC000082126981 488445484 /nfs/dbraw/zinc/44/54/84/488445484.db2.gz QPNJZNHCZGXNTO-HNNXBMFYSA-N 2 2 369.535 0.870 50 0 FCAALP CC[N@H+]1CCC[C@H](C[NH+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)C1 ZINC000082126981 488445485 /nfs/dbraw/zinc/44/54/85/488445485.db2.gz QPNJZNHCZGXNTO-HNNXBMFYSA-N 2 2 369.535 0.870 50 0 FCAALP CC[NH+]1CCC[C@H](C[N@@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)C1 ZINC000082126981 488445486 /nfs/dbraw/zinc/44/54/86/488445486.db2.gz QPNJZNHCZGXNTO-HNNXBMFYSA-N 2 2 369.535 0.870 50 0 FCAALP CC[NH+]1CCC[C@H](C[N@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)C1 ZINC000082126981 488445488 /nfs/dbraw/zinc/44/54/88/488445488.db2.gz QPNJZNHCZGXNTO-HNNXBMFYSA-N 2 2 369.535 0.870 50 0 FCAALP CC[N@@H+]1CCC[C@@H](C[NH+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)C1 ZINC000082126984 488445721 /nfs/dbraw/zinc/44/57/21/488445721.db2.gz QPNJZNHCZGXNTO-OAHLLOKOSA-N 2 2 369.535 0.870 50 0 FCAALP CC[N@H+]1CCC[C@@H](C[NH+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)C1 ZINC000082126984 488445724 /nfs/dbraw/zinc/44/57/24/488445724.db2.gz QPNJZNHCZGXNTO-OAHLLOKOSA-N 2 2 369.535 0.870 50 0 FCAALP CC[NH+]1CCC[C@@H](C[N@@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)C1 ZINC000082126984 488445727 /nfs/dbraw/zinc/44/57/27/488445727.db2.gz QPNJZNHCZGXNTO-OAHLLOKOSA-N 2 2 369.535 0.870 50 0 FCAALP CC[NH+]1CCC[C@@H](C[N@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)C1 ZINC000082126984 488445728 /nfs/dbraw/zinc/44/57/28/488445728.db2.gz QPNJZNHCZGXNTO-OAHLLOKOSA-N 2 2 369.535 0.870 50 0 FCAALP COCC(=O)NCc1cc2n(n1)CCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC000082146461 488445979 /nfs/dbraw/zinc/44/59/79/488445979.db2.gz UJIUHTDLFULDIM-UHFFFAOYSA-N 2 2 351.495 0.939 50 0 FCAALP COCC(=O)NCc1cc2n(n1)CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC000082146461 488445980 /nfs/dbraw/zinc/44/59/80/488445980.db2.gz UJIUHTDLFULDIM-UHFFFAOYSA-N 2 2 351.495 0.939 50 0 FCAALP COCCn1c(C[NH2+]Cc2ccc3nonc3c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244673969 488460510 /nfs/dbraw/zinc/46/05/10/488460510.db2.gz HZBCPOKDSMPCPZ-BETUJISGSA-N 2 2 357.418 0.955 50 0 FCAALP O=C(C[NH+]1CCc2ccccc2C1)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000244742308 488461860 /nfs/dbraw/zinc/46/18/60/488461860.db2.gz OFLSGUGLJNVYTB-OALUTQOASA-N 2 2 359.470 0.339 50 0 FCAALP O=C(C[NH+]1CCc2ccccc2C1)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000244742308 488461863 /nfs/dbraw/zinc/46/18/63/488461863.db2.gz OFLSGUGLJNVYTB-OALUTQOASA-N 2 2 359.470 0.339 50 0 FCAALP O=C(C[N@@H+]1CCc2ccccc2C1)N1CCC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000244742308 488461865 /nfs/dbraw/zinc/46/18/65/488461865.db2.gz OFLSGUGLJNVYTB-OALUTQOASA-N 2 2 359.470 0.339 50 0 FCAALP O=C(C[N@H+]1CCc2ccccc2C1)N1CCC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000244742308 488461867 /nfs/dbraw/zinc/46/18/67/488461867.db2.gz OFLSGUGLJNVYTB-OALUTQOASA-N 2 2 359.470 0.339 50 0 FCAALP Cn1ccc(NC(=O)C[N@@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000091737666 488468194 /nfs/dbraw/zinc/46/81/94/488468194.db2.gz ZXSSQAFOLUSQML-SFHVURJKSA-N 2 2 365.478 0.154 50 0 FCAALP Cn1ccc(NC(=O)C[N@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000091737666 488468197 /nfs/dbraw/zinc/46/81/97/488468197.db2.gz ZXSSQAFOLUSQML-SFHVURJKSA-N 2 2 365.478 0.154 50 0 FCAALP NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)cc1 ZINC000097394369 488492946 /nfs/dbraw/zinc/49/29/46/488492946.db2.gz DPHHGGJVEMPKCV-INIZCTEOSA-N 2 2 366.487 0.167 50 0 FCAALP NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)cc1 ZINC000097394369 488492947 /nfs/dbraw/zinc/49/29/47/488492947.db2.gz DPHHGGJVEMPKCV-INIZCTEOSA-N 2 2 366.487 0.167 50 0 FCAALP C[N@H+](CC(=O)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1)C1CC[NH2+]CC1 ZINC000252527443 488518668 /nfs/dbraw/zinc/51/86/68/488518668.db2.gz COXQREKSDPKFNN-JOCQHMNTSA-N 2 2 362.478 0.151 50 0 FCAALP C[N@@H+](CC(=O)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1)C1CC[NH2+]CC1 ZINC000252527443 488518671 /nfs/dbraw/zinc/51/86/71/488518671.db2.gz COXQREKSDPKFNN-JOCQHMNTSA-N 2 2 362.478 0.151 50 0 FCAALP COCCn1c(C[NH+]2CCC3(CNC(=O)O3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252548745 488518896 /nfs/dbraw/zinc/51/88/96/488518896.db2.gz QJTIILNMIIZMEL-BETUJISGSA-N 2 2 364.450 0.204 50 0 FCAALP OCCNc1nc(NCc2c[nH+]c3ccccn23)cc([C@H]2CCOC2)[nH+]1 ZINC000426563526 489575125 /nfs/dbraw/zinc/57/51/25/489575125.db2.gz YXHVXEFSVDTRSS-ZDUSSCGKSA-N 2 2 354.414 0.488 50 0 FCAALP Cc1c[nH+]ccc1NCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000534574558 490382322 /nfs/dbraw/zinc/38/23/22/490382322.db2.gz VCTZVGQSUXPRCA-UHFFFAOYSA-N 2 2 374.489 0.173 50 0 FCAALP CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000584893055 491719048 /nfs/dbraw/zinc/71/90/48/491719048.db2.gz SZSDFWFJBNVQLC-GOSISDBHSA-N 2 2 373.501 0.506 50 0 FCAALP CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000584893055 491719050 /nfs/dbraw/zinc/71/90/50/491719050.db2.gz SZSDFWFJBNVQLC-GOSISDBHSA-N 2 2 373.501 0.506 50 0 FCAALP CN(C[C@H]1Cc2ccccc2C[NH+]1C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000584893055 491719051 /nfs/dbraw/zinc/71/90/51/491719051.db2.gz SZSDFWFJBNVQLC-GOSISDBHSA-N 2 2 373.501 0.506 50 0 FCAALP CN(C[C@H]1Cc2ccccc2C[NH+]1C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000584893055 491719053 /nfs/dbraw/zinc/71/90/53/491719053.db2.gz SZSDFWFJBNVQLC-GOSISDBHSA-N 2 2 373.501 0.506 50 0 FCAALP C[C@H](NC(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1)c1nnc(N)s1 ZINC000670451714 493569436 /nfs/dbraw/zinc/56/94/36/493569436.db2.gz KOTLUWLVJAITKA-LBPRGKRZSA-N 2 2 367.523 0.993 50 0 FCAALP C[C@H](NC(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1)c1nnc(N)s1 ZINC000670451714 493569437 /nfs/dbraw/zinc/56/94/37/493569437.db2.gz KOTLUWLVJAITKA-LBPRGKRZSA-N 2 2 367.523 0.993 50 0 FCAALP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000020542176 521687197 /nfs/dbraw/zinc/68/71/97/521687197.db2.gz SRBLXUAQPYPJHG-IBGZPJMESA-N 2 2 363.502 0.896 50 0 FCAALP CCNC(=O)[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1Cc1ccsc1 ZINC000091690026 521744749 /nfs/dbraw/zinc/74/47/49/521744749.db2.gz WJICVSYICMZFSH-GJZGRUSLSA-N 2 2 361.471 0.840 50 0 FCAALP CCNC(=O)[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1Cc1ccsc1 ZINC000091690026 521744750 /nfs/dbraw/zinc/74/47/50/521744750.db2.gz WJICVSYICMZFSH-GJZGRUSLSA-N 2 2 361.471 0.840 50 0 FCAALP CCSc1ncc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000091656233 521788579 /nfs/dbraw/zinc/78/85/79/521788579.db2.gz XGILWZPNLROCJK-IAGOWNOFSA-N 2 2 365.547 0.876 50 0 FCAALP CCSc1ncc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000091656233 521788587 /nfs/dbraw/zinc/78/85/87/521788587.db2.gz XGILWZPNLROCJK-IAGOWNOFSA-N 2 2 365.547 0.876 50 0 FCAALP C[N@H+](CC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OCC[NH3+])Cc1ccncc1 ZINC000091593986 522428227 /nfs/dbraw/zinc/42/82/27/522428227.db2.gz ZYPVNQMIRBLPJD-SJORKVTESA-N 2 2 362.474 0.231 50 0 FCAALP C[N@@H+](CC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OCC[NH3+])Cc1ccncc1 ZINC000091593986 522428236 /nfs/dbraw/zinc/42/82/36/522428236.db2.gz ZYPVNQMIRBLPJD-SJORKVTESA-N 2 2 362.474 0.231 50 0 FCAALP Cc1nnc2n1C[C@H](C[NH+](C)C)N(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC000685943453 571103869 /nfs/dbraw/zinc/10/38/69/571103869.db2.gz XBBFIDGBZHIMOO-HNNXBMFYSA-N 2 2 357.462 0.634 50 0 FCAALP Cc1nnc2n1C[C@@H](C[NH+](C)C)N(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC000685943460 571103977 /nfs/dbraw/zinc/10/39/77/571103977.db2.gz XBBFIDGBZHIMOO-OAHLLOKOSA-N 2 2 357.462 0.634 50 0 FCAALP O=C(COc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(CO)C2)cc1)N1CCCC1 ZINC001772711626 1181711124 /nfs/dbraw/zinc/71/11/24/1181711124.db2.gz GDQWEVGURCMKKS-FXAWDEMLSA-N 2 2 359.470 0.702 50 0 FCAALP O=C(COc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(CO)C2)cc1)N1CCCC1 ZINC001772711626 1181711131 /nfs/dbraw/zinc/71/11/31/1181711131.db2.gz GDQWEVGURCMKKS-FXAWDEMLSA-N 2 2 359.470 0.702 50 0 FCAALP COCCN1C[C@H](C(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)CC1=O ZINC000952972052 1206216132 /nfs/dbraw/zinc/21/61/32/1206216132.db2.gz FBPNTGHHOVCWEJ-MRXNPFEDSA-N 2 2 366.506 0.110 50 0 FCAALP COCCN1C[C@H](C(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)CC1=O ZINC000952972052 1206216134 /nfs/dbraw/zinc/21/61/34/1206216134.db2.gz FBPNTGHHOVCWEJ-MRXNPFEDSA-N 2 2 366.506 0.110 50 0 FCAALP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[NH+](Cc1cccnc1N)CCO2 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RJURDHPOVRNZNU-QGZVFWFLSA-N 2 2 371.441 0.617 50 0 FCAALP CS(=O)(=O)NCc1cc2n(n1)CC[N@H+](Cc1ccc(CC[NH3+])cc1)C2 ZINC000299779075 210023497 /nfs/dbraw/zinc/02/34/97/210023497.db2.gz RUKOOLGRFGDODV-UHFFFAOYSA-N 2 2 363.487 0.449 50 0 FCAALP CS(=O)(=O)NCc1cc2n(n1)CC[N@@H+](Cc1ccc(CC[NH3+])cc1)C2 ZINC000299779075 210023499 /nfs/dbraw/zinc/02/34/99/210023499.db2.gz RUKOOLGRFGDODV-UHFFFAOYSA-N 2 2 363.487 0.449 50 0 FCAALP CC(C)C[NH2+][C@H]1CCc2c(c(C(=O)NCC[NH+]3CCOCC3)nn2C)C1 ZINC000019642274 211242422 /nfs/dbraw/zinc/24/24/22/211242422.db2.gz IHVCJAWUHRXHSU-HNNXBMFYSA-N 2 2 363.506 0.585 50 0 FCAALP CCCS(=O)(=O)N1CCN(c2cc(-n3cc[nH+]c3C)nc[nH+]2)CC1 ZINC000067603451 221261166 /nfs/dbraw/zinc/26/11/66/221261166.db2.gz PBVIHCJEEGTZPF-UHFFFAOYSA-N 2 2 350.448 0.833 50 0 FCAALP O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1)N1CCOCC1 ZINC000067872735 221298595 /nfs/dbraw/zinc/29/85/95/221298595.db2.gz DIWLXURHVXLFKM-MRXNPFEDSA-N 2 2 361.490 0.945 50 0 FCAALP O=C([C@@H]1CCC[N@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1)N1CCOCC1 ZINC000067872735 221298600 /nfs/dbraw/zinc/29/86/00/221298600.db2.gz DIWLXURHVXLFKM-MRXNPFEDSA-N 2 2 361.490 0.945 50 0 FCAALP O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3c[nH]c[nH+]3)CC2)C1)N1CCOCC1 ZINC000067872735 221298606 /nfs/dbraw/zinc/29/86/06/221298606.db2.gz DIWLXURHVXLFKM-MRXNPFEDSA-N 2 2 361.490 0.945 50 0 FCAALP O=C([C@@H]1CCC[N@H+](C2CCN(Cc3c[nH]c[nH+]3)CC2)C1)N1CCOCC1 ZINC000067872735 221298608 /nfs/dbraw/zinc/29/86/08/221298608.db2.gz DIWLXURHVXLFKM-MRXNPFEDSA-N 2 2 361.490 0.945 50 0 FCAALP OCCNc1cc(N2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)nc[nH+]1 ZINC000072476090 136149104 /nfs/dbraw/zinc/14/91/04/136149104.db2.gz KGILBOCDMDKBMT-KRWDZBQOSA-N 2 2 357.458 0.954 50 0 FCAALP OCCNc1cc(N2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)nc[nH+]1 ZINC000072476090 136149105 /nfs/dbraw/zinc/14/91/05/136149105.db2.gz KGILBOCDMDKBMT-KRWDZBQOSA-N 2 2 357.458 0.954 50 0 FCAALP CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](C)CC3)=[NH+]2)cc1 ZINC000025183310 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0.978 50 0 FCAALP C[NH+]1CCCN(C(=O)C[C@H]2COCC[N@@H+]2Cc2cccc3nonc32)CC1 ZINC000072430047 488380699 /nfs/dbraw/zinc/38/06/99/488380699.db2.gz CNJISFUMOOIMHY-INIZCTEOSA-N 2 2 373.457 0.978 50 0 FCAALP C[NH+]1CCCN(C(=O)C[C@H]2COCC[N@H+]2Cc2cccc3nonc32)CC1 ZINC000072430047 488380700 /nfs/dbraw/zinc/38/07/00/488380700.db2.gz CNJISFUMOOIMHY-INIZCTEOSA-N 2 2 373.457 0.978 50 0 FCAALP CCNC(=O)C[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072433822 488380887 /nfs/dbraw/zinc/38/08/87/488380887.db2.gz VIWXLYNGQQFXSO-AWEZNQCLSA-N 2 2 364.494 0.087 50 0 FCAALP CCNC(=O)C[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072433822 488380888 /nfs/dbraw/zinc/38/08/88/488380888.db2.gz VIWXLYNGQQFXSO-AWEZNQCLSA-N 2 2 364.494 0.087 50 0 FCAALP COCCc1noc(C[N@@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000091966161 488472622 /nfs/dbraw/zinc/47/26/22/488472622.db2.gz IAULKNXKDRRHMS-SFHVURJKSA-N 2 2 368.478 0.554 50 0 FCAALP COCCc1noc(C[N@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000091966161 488472623 /nfs/dbraw/zinc/47/26/23/488472623.db2.gz IAULKNXKDRRHMS-SFHVURJKSA-N 2 2 368.478 0.554 50 0 FCAALP CCCCSc1nc(N2C[C@H](O)[C@@H]([NH+]3CCOCC3)C2)cc(N)[nH+]1 ZINC000095355324 488481155 /nfs/dbraw/zinc/48/11/55/488481155.db2.gz XJRKEKCEDZTEIK-STQMWFEESA-N 2 2 353.492 0.833 50 0 FCAALP C[C@H](C(=O)N(CC[NH+]1CCOCC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000095462481 488484621 /nfs/dbraw/zinc/48/46/21/488484621.db2.gz AIKIGQCIKVROGZ-GOSISDBHSA-N 2 2 360.502 0.988 50 0 FCAALP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](O)C1 ZINC000426537447 489573836 /nfs/dbraw/zinc/57/38/36/489573836.db2.gz HPTQMKXYRIWOTF-IAGOWNOFSA-N 2 2 371.441 0.126 50 0 FCAALP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](O)C1 ZINC000426537447 489573840 /nfs/dbraw/zinc/57/38/40/489573840.db2.gz HPTQMKXYRIWOTF-IAGOWNOFSA-N 2 2 371.441 0.126 50 0 FCAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091663319 523580971 /nfs/dbraw/zinc/58/09/71/523580971.db2.gz PRXWVJTZPKJHJZ-HNNXBMFYSA-N 2 2 363.462 0.329 50 0 FCAALP O=C(NCCc1c[nH+]c[nH]1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091644426 526395978 /nfs/dbraw/zinc/39/59/78/526395978.db2.gz HQOFXBHKIVPFLT-OAHLLOKOSA-N 2 2 363.462 0.029 50 0 FCAALP O=C(NCCc1c[nH]c[nH+]1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091644426 526395985 /nfs/dbraw/zinc/39/59/85/526395985.db2.gz HQOFXBHKIVPFLT-OAHLLOKOSA-N 2 2 363.462 0.029 50 0 FCAALP Cc1[nH+]cc(CN2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C2)n1C ZINC000012444445 1245290190 /nfs/dbraw/zinc/29/01/90/1245290190.db2.gz QJOOAJPAXUGZAM-RTBURBONSA-N 2 2 370.501 0.881 50 0 FCAALP COc1cc(=O)n2c(c1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1)CC[NH2+]CC2 ZINC000299789123 210031308 /nfs/dbraw/zinc/03/13/08/210031308.db2.gz RJURDHPOVRNZNU-KRWDZBQOSA-N 2 2 371.441 0.617 50 0 FCAALP O=c1n(CC[NH+]2CCOCC2)nc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000065407722 221214760 /nfs/dbraw/zinc/21/47/60/221214760.db2.gz XIGWDYQRCWTITK-UHFFFAOYSA-N 2 2 371.485 0.908 50 0 FCAALP COCCN1CCC[C@](O)(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)C1=O ZINC000067820184 221289934 /nfs/dbraw/zinc/28/99/34/221289934.db2.gz KQEJUYUKKQSDNL-IBGZPJMESA-N 2 2 362.474 0.512 50 0 FCAALP COCCN1CCC[C@@](O)(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)C1=O ZINC000067820182 221290083 /nfs/dbraw/zinc/29/00/83/221290083.db2.gz KQEJUYUKKQSDNL-LJQANCHMSA-N 2 2 362.474 0.512 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)CC[N@@H+]2C ZINC000067771231 221283646 /nfs/dbraw/zinc/28/36/46/221283646.db2.gz LLNFKKKMXMIRTO-ROUUACIJSA-N 2 2 370.497 0.755 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)CC[N@H+]2C ZINC000067771231 221283649 /nfs/dbraw/zinc/28/36/49/221283649.db2.gz LLNFKKKMXMIRTO-ROUUACIJSA-N 2 2 370.497 0.755 50 0 FCAALP CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000067850385 221295895 /nfs/dbraw/zinc/29/58/95/221295895.db2.gz OECBAXMEXQTPJD-WMZOPIPTSA-N 2 2 373.501 0.181 50 0 FCAALP COc1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)ccc1OCC(N)=O ZINC000072418194 221506600 /nfs/dbraw/zinc/50/66/00/221506600.db2.gz QCDHZGZFMQLFAI-SFHVURJKSA-N 2 2 351.447 0.448 50 0 FCAALP COc1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)ccc1OCC(N)=O ZINC000072418194 221506603 /nfs/dbraw/zinc/50/66/03/221506603.db2.gz QCDHZGZFMQLFAI-SFHVURJKSA-N 2 2 351.447 0.448 50 0 FCAALP CCCCCN(C)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077299102 132179894 /nfs/dbraw/zinc/17/98/94/132179894.db2.gz HNPKXQBSEYDEAN-UONOGXRCSA-N 2 2 353.492 0.678 50 0 FCAALP CC(C)CCN(C)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077438758 132185425 /nfs/dbraw/zinc/18/54/25/132185425.db2.gz BEPQTQLPAOHIPY-UONOGXRCSA-N 2 2 353.492 0.534 50 0 FCAALP NC(=O)C1([NH+]2CCCCC2)CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000222841646 132277900 /nfs/dbraw/zinc/27/79/00/132277900.db2.gz BAPRKRNGFQYCSL-UHFFFAOYSA-N 3 2 373.505 0.574 50 0 FCAALP CN1C[C@@]2(CCCN(c3cc(N4CC[NH+](C)CC4)nc(N)[nH+]3)C2)OC1=O ZINC000072422955 136146323 /nfs/dbraw/zinc/14/63/23/136146323.db2.gz RYGUJZFQOPKJDU-QGZVFWFLSA-N 2 2 361.450 0.232 50 0 FCAALP CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CC[NH+](C)CC3)=[NH+]2)cc1 ZINC000025183301 487659771 /nfs/dbraw/zinc/65/97/71/487659771.db2.gz IAYITLDAMUIPEG-HNNXBMFYSA-N 2 2 372.429 0.075 50 0 FCAALP Cc1cc(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000029632454 487727241 /nfs/dbraw/zinc/72/72/41/487727241.db2.gz WNRCIBYZDPUPKU-QGZVFWFLSA-N 2 2 363.506 0.724 50 0 FCAALP NC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000045608526 487945901 /nfs/dbraw/zinc/94/59/01/487945901.db2.gz PQSHHDRIRDTCBN-UHFFFAOYSA-N 2 2 365.503 0.525 50 0 FCAALP NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072148351 488378356 /nfs/dbraw/zinc/37/83/56/488378356.db2.gz LUORBHOQIOWGCT-MRXNPFEDSA-N 2 2 360.458 0.483 50 0 FCAALP NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072148351 488378357 /nfs/dbraw/zinc/37/83/57/488378357.db2.gz LUORBHOQIOWGCT-MRXNPFEDSA-N 2 2 360.458 0.483 50 0 FCAALP O=C(NCc1ccccn1)C1CC[NH+](Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072161866 488378817 /nfs/dbraw/zinc/37/88/17/488378817.db2.gz RJAUKCUVVHHRTB-UHFFFAOYSA-N 2 2 354.458 0.910 50 0 FCAALP COc1cccc(OC[C@H](O)CNc2nc(N)[nH+]c3c2CC[NH2+]CC3)c1 ZINC000072407483 488379927 /nfs/dbraw/zinc/37/99/27/488379927.db2.gz CYDFDJGMKFYSKV-GFCCVEGCSA-N 2 2 359.430 0.607 50 0 FCAALP CCOC(=O)C1CCN(C(=O)[C@H](C)[NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000076046903 488401323 /nfs/dbraw/zinc/40/13/23/488401323.db2.gz SFVDBXYLCZYOHA-HNNXBMFYSA-N 2 2 369.506 0.877 50 0 FCAALP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077380286 488412293 /nfs/dbraw/zinc/41/22/93/488412293.db2.gz CLOSOAYOJDVQOT-LJQANCHMSA-N 2 2 374.441 0.824 50 0 FCAALP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(Cn3cc[nH+]c3)CC1)C2 ZINC000222513399 488446567 /nfs/dbraw/zinc/44/65/67/488446567.db2.gz JUHUKWPMSSQDKQ-MRXNPFEDSA-N 2 2 358.446 0.497 50 0 FCAALP Cn1c(C[NH+]2CCC(c3nnc(CO)n3C)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223526464 488448958 /nfs/dbraw/zinc/44/89/58/488448958.db2.gz CTVNFXIPSZWHKO-JOCQHMNTSA-N 2 2 360.466 0.020 50 0 FCAALP COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000091707100 488468318 /nfs/dbraw/zinc/46/83/18/488468318.db2.gz SPOPHJZAGSOMJB-OAHLLOKOSA-N 2 2 361.490 0.732 50 0 FCAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091907400 488471922 /nfs/dbraw/zinc/47/19/22/488471922.db2.gz QBAMMQSHNWUPPL-ZDUSSCGKSA-N 2 2 354.414 0.705 50 0 FCAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2ccn3nnnc3c2)CC1 ZINC000092076929 488473802 /nfs/dbraw/zinc/47/38/02/488473802.db2.gz QGJYMVPACRVQTC-UHFFFAOYSA-N 2 2 368.445 0.902 50 0 FCAALP O=C(C1CC[NH+](Cc2ccco2)CC1)N1C[C@H](O)[C@@H]([NH+]2CCOCC2)C1 ZINC000095373982 488482151 /nfs/dbraw/zinc/48/21/51/488482151.db2.gz HXOUNVVWTOELEC-ROUUACIJSA-N 2 2 363.458 0.396 50 0 FCAALP CCCCSc1nc(N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)cc(N)[nH+]1 ZINC000095526190 488486805 /nfs/dbraw/zinc/48/68/05/488486805.db2.gz JCGHQLQISOWSSC-KBPBESRZSA-N 2 2 366.535 0.748 50 0 FCAALP COC(=O)N[C@@H](C)C(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000095524948 488487300 /nfs/dbraw/zinc/48/73/00/488487300.db2.gz RGWNLSGOPGERNF-ZDUSSCGKSA-N 2 2 351.451 0.895 50 0 FCAALP OCCNc1nc(N2CCN(c3cccc[nH+]3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426739685 489581939 /nfs/dbraw/zinc/58/19/39/489581939.db2.gz HJMGYRGDUORMTM-HNNXBMFYSA-N 2 2 370.457 1.106 50 0 FCAALP Cc1[nH+]ccn1CC(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670458267 493569745 /nfs/dbraw/zinc/56/97/45/493569745.db2.gz XLXUPLQXCSLVNL-SGDIKTSBSA-N 2 2 365.481 0.875 50 0 FCAALP Cc1[nH+]ccn1CC(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670458267 493569746 /nfs/dbraw/zinc/56/97/46/493569746.db2.gz XLXUPLQXCSLVNL-SGDIKTSBSA-N 2 2 365.481 0.875 50 0 FCAALP COc1cccc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)c1 ZINC000082125260 525801864 /nfs/dbraw/zinc/80/18/64/525801864.db2.gz ICLBUVRSCMZUGM-INIZCTEOSA-N 2 2 357.414 0.273 50 0 FCAALP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(N3CCn4nncc4C3)[nH+]cn2)C1 ZINC000685942523 571102642 /nfs/dbraw/zinc/10/26/42/571102642.db2.gz OIYCQGBQJDKVPP-ZFWWWQNUSA-N 2 2 358.450 0.244 50 0 FCAALP Cc1[nH+]ccn1CC(=O)N1C[C@H]2COC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC001772704040 1181678202 /nfs/dbraw/zinc/67/82/02/1181678202.db2.gz JRMPJFPWJKCJNQ-ROUUACIJSA-N 2 2 355.442 0.946 50 0 FCAALP CN(C)c1nc(N2CC[NH+](CCn3cncn3)CC2)c2c([nH+]1)CCCC2 ZINC001529139929 1267034359 /nfs/dbraw/zinc/03/43/59/1267034359.db2.gz YVCWZDAFQWBFFO-UHFFFAOYSA-N 2 2 356.478 0.835 50 0 FCAALP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)cc1 ZINC000014534750 211095321 /nfs/dbraw/zinc/09/53/21/211095321.db2.gz MWYRFOZCQKJSOP-DLBZAZTESA-N 2 2 360.458 0.335 50 0 FCAALP COc1ccc(C[N@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)cc1 ZINC000014534750 211095326 /nfs/dbraw/zinc/09/53/26/211095326.db2.gz MWYRFOZCQKJSOP-DLBZAZTESA-N 2 2 360.458 0.335 50 0 FCAALP CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000065506783 221227922 /nfs/dbraw/zinc/22/79/22/221227922.db2.gz CGJKWGOWZVSCEI-MRXNPFEDSA-N 2 2 366.506 0.347 50 0 FCAALP CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000065506783 221227926 /nfs/dbraw/zinc/22/79/26/221227926.db2.gz CGJKWGOWZVSCEI-MRXNPFEDSA-N 2 2 366.506 0.347 50 0 FCAALP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)C3(CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000067677503 221271201 /nfs/dbraw/zinc/27/12/01/221271201.db2.gz JJLCYPAQSQEIKV-CALCHBBNSA-N 3 2 352.523 0.724 50 0 FCAALP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)C3(CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000067677503 221271205 /nfs/dbraw/zinc/27/12/05/221271205.db2.gz JJLCYPAQSQEIKV-CALCHBBNSA-N 3 2 352.523 0.724 50 0 FCAALP C[C@@H]1C[NH+](CCC(=O)N2CC[N@H+](C)C3(CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000067677503 221271207 /nfs/dbraw/zinc/27/12/07/221271207.db2.gz JJLCYPAQSQEIKV-CALCHBBNSA-N 3 2 352.523 0.724 50 0 FCAALP C[C@@H]1C[NH+](CCC(=O)N2CC[N@@H+](C)C3(CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000067677503 221271209 /nfs/dbraw/zinc/27/12/09/221271209.db2.gz JJLCYPAQSQEIKV-CALCHBBNSA-N 3 2 352.523 0.724 50 0 FCAALP COc1cc(C(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)nc(OC)n1 ZINC000067884460 221301674 /nfs/dbraw/zinc/30/16/74/221301674.db2.gz VDZSAKPTULRCFS-UHFFFAOYSA-N 2 2 363.462 0.736 50 0 FCAALP COc1cc(C(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)nc(OC)n1 ZINC000067884460 221301675 /nfs/dbraw/zinc/30/16/75/221301675.db2.gz VDZSAKPTULRCFS-UHFFFAOYSA-N 2 2 363.462 0.736 50 0 FCAALP CNC(=O)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071498083 221350768 /nfs/dbraw/zinc/35/07/68/221350768.db2.gz JXLTUFXEWVSSGH-KRWDZBQOSA-N 2 2 373.501 0.620 50 0 FCAALP CNC(=O)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071498083 221350770 /nfs/dbraw/zinc/35/07/70/221350770.db2.gz JXLTUFXEWVSSGH-KRWDZBQOSA-N 2 2 373.501 0.620 50 0 FCAALP CC(=O)N1CCc2c([nH+]c(N(C)C)nc2NCC2(O)CC[NH+](C)CC2)C1 ZINC000071763510 221371622 /nfs/dbraw/zinc/37/16/22/221371622.db2.gz NQVIKYSXTKTLAJ-UHFFFAOYSA-N 2 2 362.478 0.316 50 0 FCAALP COc1cc(N2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)nc(N)[nH+]1 ZINC000095364561 132208135 /nfs/dbraw/zinc/20/81/35/132208135.db2.gz XNJVTWKOHFLILL-LBPRGKRZSA-N 2 2 369.433 0.825 50 0 FCAALP Nc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc(N)[nH+]1 ZINC000071774982 136141096 /nfs/dbraw/zinc/14/10/96/136141096.db2.gz UPKFXMRGSGXIRS-CQSZACIVSA-N 2 2 373.505 0.944 50 0 FCAALP Nc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc(N)[nH+]1 ZINC000071774982 136141097 /nfs/dbraw/zinc/14/10/97/136141097.db2.gz UPKFXMRGSGXIRS-CQSZACIVSA-N 2 2 373.505 0.944 50 0 FCAALP Nc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)[nH+]c(N)n1 ZINC000071774982 136141098 /nfs/dbraw/zinc/14/10/98/136141098.db2.gz UPKFXMRGSGXIRS-CQSZACIVSA-N 2 2 373.505 0.944 50 0 FCAALP Nc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)[nH+]c(N)n1 ZINC000071774982 136141099 /nfs/dbraw/zinc/14/10/99/136141099.db2.gz UPKFXMRGSGXIRS-CQSZACIVSA-N 2 2 373.505 0.944 50 0 FCAALP CN1CC[NH+](CCOc2ccccc2C[N@@H+]2CC[C@](C)(O)[C@@H](O)C2)CC1 ZINC000096137423 222041846 /nfs/dbraw/zinc/04/18/46/222041846.db2.gz IQTMQFBUOHQDAU-PMACEKPBSA-N 2 2 363.502 0.630 50 0 FCAALP CN1CC[NH+](CCOc2ccccc2C[N@H+]2CC[C@](C)(O)[C@@H](O)C2)CC1 ZINC000096137423 222041852 /nfs/dbraw/zinc/04/18/52/222041852.db2.gz IQTMQFBUOHQDAU-PMACEKPBSA-N 2 2 363.502 0.630 50 0 FCAALP O[C@@H]1C[N@H+](CCCn2cccn2)CC[C@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000012076378 487548368 /nfs/dbraw/zinc/54/83/68/487548368.db2.gz LYUICBSRNHNQQL-RTBURBONSA-N 2 2 370.501 0.926 50 0 FCAALP O[C@@H]1C[N@@H+](CCCn2cccn2)CC[C@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000012076378 487548376 /nfs/dbraw/zinc/54/83/76/487548376.db2.gz LYUICBSRNHNQQL-RTBURBONSA-N 2 2 370.501 0.926 50 0 FCAALP CCc1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@@H]1C(=O)NCc1ccncc1 ZINC000072161276 488378721 /nfs/dbraw/zinc/37/87/21/488378721.db2.gz SREUJVNMBHFTBO-MRXNPFEDSA-N 2 2 370.457 0.347 50 0 FCAALP CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072432858 488381012 /nfs/dbraw/zinc/38/10/12/488381012.db2.gz SBGDJVMCBJOVOO-CQSZACIVSA-N 2 2 364.494 0.039 50 0 FCAALP CN(C)C(=O)C[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072432858 488381013 /nfs/dbraw/zinc/38/10/13/488381013.db2.gz SBGDJVMCBJOVOO-CQSZACIVSA-N 2 2 364.494 0.039 50 0 FCAALP C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)C3(Cn4cc[nH+]c4)CC3)CC[C@H]21 ZINC000072435775 488381023 /nfs/dbraw/zinc/38/10/23/488381023.db2.gz LLGDJZKNDJSNQL-JKSUJKDBSA-N 2 2 359.474 0.722 50 0 FCAALP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000074187348 488388362 /nfs/dbraw/zinc/38/83/62/488388362.db2.gz CEKXFQKSXSJUMO-QGZVFWFLSA-N 2 2 359.474 0.136 50 0 FCAALP Cc1cccc2[nH+]c(CNC(=O)CC[N@@H+](C)[C@@H]3CCS(=O)(=O)C3)cn21 ZINC000215844016 488440684 /nfs/dbraw/zinc/44/06/84/488440684.db2.gz GAQRUNGNBQTZAN-OAHLLOKOSA-N 2 2 364.471 0.768 50 0 FCAALP Cc1cccc2[nH+]c(CNC(=O)CC[N@H+](C)[C@@H]3CCS(=O)(=O)C3)cn21 ZINC000215844016 488440687 /nfs/dbraw/zinc/44/06/87/488440687.db2.gz GAQRUNGNBQTZAN-OAHLLOKOSA-N 2 2 364.471 0.768 50 0 FCAALP COc1cccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1OCC[NH+]1CCOCC1 ZINC000082125779 488445370 /nfs/dbraw/zinc/44/53/70/488445370.db2.gz NEQGJJRCCQLJLD-IAGOWNOFSA-N 2 2 365.474 0.300 50 0 FCAALP C[C@H]1C[NH+](CCC2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C[C@H](C)O1 ZINC000237605636 488456023 /nfs/dbraw/zinc/45/60/23/488456023.db2.gz FRBRMLMRUCJYOV-HOTGVXAUSA-N 2 2 366.506 0.156 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000244882431 488462593 /nfs/dbraw/zinc/46/25/93/488462593.db2.gz XRNKWSQVXONXNQ-SFHVURJKSA-N 2 2 370.457 0.899 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000244882431 488462594 /nfs/dbraw/zinc/46/25/94/488462594.db2.gz XRNKWSQVXONXNQ-SFHVURJKSA-N 2 2 370.457 0.899 50 0 FCAALP O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000091893254 488471448 /nfs/dbraw/zinc/47/14/48/488471448.db2.gz UVQFMNOGGLPLMI-ZDUSSCGKSA-N 2 2 363.443 0.370 50 0 FCAALP CN1CC[NH+](C[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000091893396 488471479 /nfs/dbraw/zinc/47/14/79/488471479.db2.gz PBZIOGYEMNXWTK-WOJBJXKFSA-N 2 2 374.529 0.433 50 0 FCAALP CN1CC[NH+](C[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000091893396 488471481 /nfs/dbraw/zinc/47/14/81/488471481.db2.gz PBZIOGYEMNXWTK-WOJBJXKFSA-N 2 2 374.529 0.433 50 0 FCAALP C[N@H+](CC(=O)N1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000091893396 488471482 /nfs/dbraw/zinc/47/14/82/488471482.db2.gz PBZIOGYEMNXWTK-WOJBJXKFSA-N 2 2 374.529 0.433 50 0 FCAALP C[N@@H+](CC(=O)N1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000091893396 488471483 /nfs/dbraw/zinc/47/14/83/488471483.db2.gz PBZIOGYEMNXWTK-WOJBJXKFSA-N 2 2 374.529 0.433 50 0 FCAALP CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000092081399 488474252 /nfs/dbraw/zinc/47/42/52/488474252.db2.gz VUAFGMNGBLDGNV-KRWDZBQOSA-N 2 2 359.474 0.639 50 0 FCAALP CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000092081399 488474255 /nfs/dbraw/zinc/47/42/55/488474255.db2.gz VUAFGMNGBLDGNV-KRWDZBQOSA-N 2 2 359.474 0.639 50 0 FCAALP COc1cc(C[NH+]2CC(O)C2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095521911 488486340 /nfs/dbraw/zinc/48/63/40/488486340.db2.gz DIAFMCNSNKUJTF-KRWDZBQOSA-N 2 2 366.458 0.068 50 0 FCAALP O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCNC(=O)[C@@H]1Cc1c[nH+]c[nH]1 ZINC000097499709 488492596 /nfs/dbraw/zinc/49/25/96/488492596.db2.gz NECMZFMGQZCRDN-HNNXBMFYSA-N 2 2 357.414 0.782 50 0 FCAALP O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCNC(=O)[C@@H]1Cc1c[nH]c[nH+]1 ZINC000097499709 488492598 /nfs/dbraw/zinc/49/25/98/488492598.db2.gz NECMZFMGQZCRDN-HNNXBMFYSA-N 2 2 357.414 0.782 50 0 FCAALP c1snnc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182189537 488864194 /nfs/dbraw/zinc/86/41/94/488864194.db2.gz FUOOXYZPFPMHOM-CYBMUJFWSA-N 2 2 361.475 0.923 50 0 FCAALP C[N@@H+]1CCCNC(=O)C12CCN(C(=O)NCc1c[nH+]c3ccccn13)CC2 ZINC000426727484 489581494 /nfs/dbraw/zinc/58/14/94/489581494.db2.gz MGDSAKPEFZESDD-UHFFFAOYSA-N 2 2 370.457 0.830 50 0 FCAALP C[N@H+]1CCCNC(=O)C12CCN(C(=O)NCc1c[nH+]c3ccccn13)CC2 ZINC000426727484 489581497 /nfs/dbraw/zinc/58/14/97/489581497.db2.gz MGDSAKPEFZESDD-UHFFFAOYSA-N 2 2 370.457 0.830 50 0 FCAALP COCCn1cnnc1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000534660407 490394172 /nfs/dbraw/zinc/39/41/72/490394172.db2.gz OGSFXDIEHDFIMO-HNNXBMFYSA-N 2 2 350.467 0.099 50 0 FCAALP COCCn1cnnc1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000534660407 490394180 /nfs/dbraw/zinc/39/41/80/490394180.db2.gz OGSFXDIEHDFIMO-HNNXBMFYSA-N 2 2 350.467 0.099 50 0 FCAALP Nc1nc(N2CCCC2)cc(-c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)cc2)[nH+]1 ZINC000584898730 491718989 /nfs/dbraw/zinc/71/89/89/491718989.db2.gz ZNXIQRCNNDMSKM-HZPDHXFCSA-N 2 2 368.441 0.389 50 0 FCAALP CC[NH+]1CCN(C(=O)c2cccc(C(=O)N3CC[NH+](CC)CC3)n2)CC1 ZINC000020166333 521671405 /nfs/dbraw/zinc/67/14/05/521671405.db2.gz NPLKXWFZPGAUIU-UHFFFAOYSA-N 2 2 359.474 0.637 50 0 FCAALP C[N@@H+]1CCN(c2cc(N)[nH+]c(N)n2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000230164907 536419728 /nfs/dbraw/zinc/41/97/28/536419728.db2.gz MZLYNIZKOGIYCZ-GOSISDBHSA-N 2 2 359.478 0.554 50 0 FCAALP C[N@H+]1CCN(c2cc(N)[nH+]c(N)n2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000230164907 536419729 /nfs/dbraw/zinc/41/97/29/536419729.db2.gz MZLYNIZKOGIYCZ-GOSISDBHSA-N 2 2 359.478 0.554 50 0 FCAALP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2Cc3ccccc3C2)[C@H](O)C1 ZINC000299791876 1183503338 /nfs/dbraw/zinc/50/33/38/1183503338.db2.gz DLRREJRVRQFWLL-QZTJIDSGSA-N 2 2 374.485 0.032 50 0 FCAALP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2Cc3ccccc3C2)[C@H](O)C1 ZINC000299791876 1183503349 /nfs/dbraw/zinc/50/33/49/1183503349.db2.gz DLRREJRVRQFWLL-QZTJIDSGSA-N 2 2 374.485 0.032 50 0 FCAALP CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000952874236 1206212362 /nfs/dbraw/zinc/21/23/62/1206212362.db2.gz YYNOQCWFOYBACZ-GOSISDBHSA-N 2 2 366.550 0.852 50 0 FCAALP CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000952874236 1206212365 /nfs/dbraw/zinc/21/23/65/1206212365.db2.gz YYNOQCWFOYBACZ-GOSISDBHSA-N 2 2 366.550 0.852 50 0 FCAALP O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000072161244 1219214001 /nfs/dbraw/zinc/21/40/01/1219214001.db2.gz UYUIQVRVKIAMOG-MRXNPFEDSA-N 2 2 354.458 0.813 50 0 FCAALP CC[NH+](CC)CCN(C)C(=O)Cn1nnnc1C[NH+]1CCC(C)CC1 ZINC000015064909 211116789 /nfs/dbraw/zinc/11/67/89/211116789.db2.gz VONLIRLDRRWXQF-UHFFFAOYSA-N 2 2 351.499 0.705 50 0 FCAALP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)C1 ZINC000067491060 221257015 /nfs/dbraw/zinc/25/70/15/221257015.db2.gz LCERPKYUEZUPTN-KGLIPLIRSA-N 2 2 358.471 0.543 50 0 FCAALP CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000067714052 221274686 /nfs/dbraw/zinc/27/46/86/221274686.db2.gz OECBAXMEXQTPJD-AEFFLSMTSA-N 2 2 373.501 0.181 50 0 FCAALP [NH3+]C1CN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)C1 ZINC000071752568 221363492 /nfs/dbraw/zinc/36/34/92/221363492.db2.gz FNGVTCLKVIKQDG-KRWDZBQOSA-N 3 2 357.502 0.928 50 0 FCAALP [NH3+]C1CN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)C1 ZINC000071752568 221363494 /nfs/dbraw/zinc/36/34/94/221363494.db2.gz FNGVTCLKVIKQDG-KRWDZBQOSA-N 3 2 357.502 0.928 50 0 FCAALP C[NH2+]CCN1C(=O)CC[C@H]2CN(c3cc(OC(C)C)[nH+]c(N)n3)CC[C@H]21 ZINC000077394501 132183385 /nfs/dbraw/zinc/18/33/85/132183385.db2.gz JSPPLQFWVYOVOF-UONOGXRCSA-N 2 2 362.478 0.883 50 0 FCAALP C[NH2+]CCN1C(=O)CC[C@H]2CN(c3cc(OC(C)C)nc(N)[nH+]3)CC[C@H]21 ZINC000077394501 132183387 /nfs/dbraw/zinc/18/33/87/132183387.db2.gz JSPPLQFWVYOVOF-UONOGXRCSA-N 2 2 362.478 0.883 50 0 FCAALP Nc1nc(C2CC([NH3+])C2)cc(N2CC[NH+](CC(=O)N3CCCC3)CC2)n1 ZINC000219861089 132275138 /nfs/dbraw/zinc/27/51/38/132275138.db2.gz QYSNHFFQAJWBHD-UHFFFAOYSA-N 2 2 359.478 0.008 50 0 FCAALP NC(=O)C[NH+]1CCN(c2nc(-c3ccco3)nc3c2CC[NH2+]CC3)CC1 ZINC000072422575 136146040 /nfs/dbraw/zinc/14/60/40/136146040.db2.gz RZCMNNSXBJVVSB-UHFFFAOYSA-N 2 2 356.430 0.032 50 0 FCAALP O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)NCC1=CSC2=[NH+]CCN12 ZINC000102577879 222299604 /nfs/dbraw/zinc/29/96/04/222299604.db2.gz BGGXWMWYINCLNM-CQSZACIVSA-N 2 2 363.487 0.496 50 0 FCAALP O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)NCC1=CSC2=[NH+]CCN12 ZINC000102577879 222299607 /nfs/dbraw/zinc/29/96/07/222299607.db2.gz BGGXWMWYINCLNM-CQSZACIVSA-N 2 2 363.487 0.496 50 0 FCAALP Cc1cccn2c(CC(=O)N3CC[NH2+]C[C@@H]3C(=O)N3CCCC3)c[nH+]c12 ZINC000072165821 488378986 /nfs/dbraw/zinc/37/89/86/488378986.db2.gz PYURTJRVPXUENW-MRXNPFEDSA-N 2 2 355.442 0.608 50 0 FCAALP C[NH+](C)Cc1nc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CCCC2)cs1 ZINC000072169849 488379284 /nfs/dbraw/zinc/37/92/84/488379284.db2.gz TZEIUNMGSKAHCG-CYBMUJFWSA-N 2 2 351.476 0.241 50 0 FCAALP CS(=O)(=O)c1cnc(NCCn2cc[nH+]c2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072421787 488380462 /nfs/dbraw/zinc/38/04/62/488380462.db2.gz LURIFMSYTLUCRS-GFCCVEGCSA-N 2 2 350.448 0.656 50 0 FCAALP CN(C)C(=O)C[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072432860 488381083 /nfs/dbraw/zinc/38/10/83/488381083.db2.gz SBGDJVMCBJOVOO-AWEZNQCLSA-N 2 2 364.494 0.039 50 0 FCAALP CN(C)C(=O)C[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072432860 488381084 /nfs/dbraw/zinc/38/10/84/488381084.db2.gz SBGDJVMCBJOVOO-AWEZNQCLSA-N 2 2 364.494 0.039 50 0 FCAALP O=C([C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1)N1CCNC(=O)C1 ZINC000072447525 488381149 /nfs/dbraw/zinc/38/11/49/488381149.db2.gz FWXMOUWUIVXQNK-QGZVFWFLSA-N 2 2 369.425 0.032 50 0 FCAALP O=C([C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1)N1CCNC(=O)C1 ZINC000072447525 488381150 /nfs/dbraw/zinc/38/11/50/488381150.db2.gz FWXMOUWUIVXQNK-QGZVFWFLSA-N 2 2 369.425 0.032 50 0 FCAALP NC(=O)NCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000072463803 488381535 /nfs/dbraw/zinc/38/15/35/488381535.db2.gz AAFNFGGBNFKJQS-HNNXBMFYSA-N 2 2 367.881 0.760 50 0 FCAALP COCC[N@H+](C)CCN1CC2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072479535 488381900 /nfs/dbraw/zinc/38/19/00/488381900.db2.gz QPRQBBJZQYSPEK-MRXNPFEDSA-N 3 2 354.495 0.603 50 0 FCAALP COCC[N@@H+](C)CCN1CC2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072479535 488381901 /nfs/dbraw/zinc/38/19/01/488381901.db2.gz QPRQBBJZQYSPEK-MRXNPFEDSA-N 3 2 354.495 0.603 50 0 FCAALP O=C(C[N@@H+]1CCc2ccccc2C1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077355016 488411286 /nfs/dbraw/zinc/41/12/86/488411286.db2.gz SHHUZGFVHZYAIV-NRFANRHFSA-N 2 2 373.497 0.730 50 0 FCAALP O=C(C[N@H+]1CCc2ccccc2C1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077355016 488411287 /nfs/dbraw/zinc/41/12/87/488411287.db2.gz SHHUZGFVHZYAIV-NRFANRHFSA-N 2 2 373.497 0.730 50 0 FCAALP COCC[N@H+](C)C[C@@H]1CN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@@H]1CO ZINC000091270656 488462309 /nfs/dbraw/zinc/46/23/09/488462309.db2.gz YDAFVZMUBJYSPD-IAGOWNOFSA-N 2 2 374.485 0.990 50 0 FCAALP COCC[N@@H+](C)C[C@@H]1CN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@@H]1CO ZINC000091270656 488462312 /nfs/dbraw/zinc/46/23/12/488462312.db2.gz YDAFVZMUBJYSPD-IAGOWNOFSA-N 2 2 374.485 0.990 50 0 FCAALP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000091726217 488468327 /nfs/dbraw/zinc/46/83/27/488468327.db2.gz YJEHCKFQGNPLAX-QGZVFWFLSA-N 2 2 367.457 0.474 50 0 FCAALP COCC[N@H+](C)CC(=O)N[C@H]1CN(c2cc[nH+]c(N)n2)C[C@@H]1C(C)C ZINC000091893772 488471491 /nfs/dbraw/zinc/47/14/91/488471491.db2.gz AFSXDOSYHQTHFO-KGLIPLIRSA-N 2 2 350.467 0.214 50 0 FCAALP COCC[N@@H+](C)CC(=O)N[C@H]1CN(c2cc[nH+]c(N)n2)C[C@@H]1C(C)C ZINC000091893772 488471493 /nfs/dbraw/zinc/47/14/93/488471493.db2.gz AFSXDOSYHQTHFO-KGLIPLIRSA-N 2 2 350.467 0.214 50 0 FCAALP Cc1[nH+]c2cc(CNC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)ccc2n1C ZINC000095498700 488485264 /nfs/dbraw/zinc/48/52/64/488485264.db2.gz WHQQESDCXDPEIM-HNNXBMFYSA-N 2 2 357.458 0.908 50 0 FCAALP Cc1nnnn1CC(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095496724 488485367 /nfs/dbraw/zinc/48/53/67/488485367.db2.gz XTSOHIDLYUXJAK-OAHLLOKOSA-N 2 2 360.466 0.536 50 0 FCAALP [NH3+]CCOc1cccc(C(=O)N2CCCO[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000426677928 489579354 /nfs/dbraw/zinc/57/93/54/489579354.db2.gz YPNQHTRONCFKGB-GOSISDBHSA-N 2 2 363.458 0.587 50 0 FCAALP O=C(NCCc1c[nH+]c[nH]1)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091644427 526395936 /nfs/dbraw/zinc/39/59/36/526395936.db2.gz HQOFXBHKIVPFLT-HNNXBMFYSA-N 2 2 363.462 0.029 50 0 FCAALP O=C(NCCc1c[nH]c[nH+]1)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091644427 526395939 /nfs/dbraw/zinc/39/59/39/526395939.db2.gz HQOFXBHKIVPFLT-HNNXBMFYSA-N 2 2 363.462 0.029 50 0 FCAALP C[N@@H+]1CCN(C(=O)C[NH+]2CCc3ccccc3C2)C[C@]12CCNC(=O)CC2 ZINC000095392318 1171297258 /nfs/dbraw/zinc/29/72/58/1171297258.db2.gz ZZFKAHSDOPDXSV-NRFANRHFSA-N 2 2 370.497 0.858 50 0 FCAALP C[N@H+]1CCN(C(=O)C[NH+]2CCc3ccccc3C2)C[C@]12CCNC(=O)CC2 ZINC000095392318 1171297267 /nfs/dbraw/zinc/29/72/67/1171297267.db2.gz ZZFKAHSDOPDXSV-NRFANRHFSA-N 2 2 370.497 0.858 50 0 FCAALP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccccc3C2)C[C@]12CCNC(=O)CC2 ZINC000095392318 1171297280 /nfs/dbraw/zinc/29/72/80/1171297280.db2.gz ZZFKAHSDOPDXSV-NRFANRHFSA-N 2 2 370.497 0.858 50 0 FCAALP C[NH+]1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)C[C@]12CCNC(=O)CC2 ZINC000095392318 1171297294 /nfs/dbraw/zinc/29/72/94/1171297294.db2.gz ZZFKAHSDOPDXSV-NRFANRHFSA-N 2 2 370.497 0.858 50 0 FCAALP NS(=O)(=O)c1ccc(C[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)cc1 ZINC000063844800 212034383 /nfs/dbraw/zinc/03/43/83/212034383.db2.gz ATQFYDDAMITBQD-IAGOWNOFSA-N 2 2 353.488 0.803 50 0 FCAALP NS(=O)(=O)c1ccc(C[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)cc1 ZINC000063844800 212034386 /nfs/dbraw/zinc/03/43/86/212034386.db2.gz ATQFYDDAMITBQD-IAGOWNOFSA-N 2 2 353.488 0.803 50 0 FCAALP CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@H+](C)Cc1ccccc1F ZINC000067473254 221256339 /nfs/dbraw/zinc/25/63/39/221256339.db2.gz RBHBXGFBSBOKKU-HOCLYGCPSA-N 2 2 350.438 0.710 50 0 FCAALP CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000067473254 221256341 /nfs/dbraw/zinc/25/63/41/221256341.db2.gz RBHBXGFBSBOKKU-HOCLYGCPSA-N 2 2 350.438 0.710 50 0 FCAALP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000067789277 221285465 /nfs/dbraw/zinc/28/54/65/221285465.db2.gz GSJUUBZDIITYJM-SJORKVTESA-N 2 2 374.485 0.678 50 0 FCAALP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000067789277 221285468 /nfs/dbraw/zinc/28/54/68/221285468.db2.gz GSJUUBZDIITYJM-SJORKVTESA-N 2 2 374.485 0.678 50 0 FCAALP O=c1cc(N2CC[NH+](C[C@@]3(O)CC[NH2+]C3)CC2)c(-c2ccccc2)n[nH]1 ZINC000077422159 132184885 /nfs/dbraw/zinc/18/48/85/132184885.db2.gz BGICCGYYWUWGEM-LJQANCHMSA-N 2 2 355.442 0.283 50 0 FCAALP Cc1ccc[nH+]c1N1CCN(c2nc(N(C)C[C@@H](O)CO)cc[nH+]2)CC1 ZINC000096133832 132219867 /nfs/dbraw/zinc/21/98/67/132219867.db2.gz BFLQMPWSMBSTTQ-OAHLLOKOSA-N 2 2 358.446 0.296 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1)CC[N@@H+]2C ZINC000106727524 222388763 /nfs/dbraw/zinc/38/87/63/222388763.db2.gz LLNFKKKMXMIRTO-QZTJIDSGSA-N 2 2 370.497 0.755 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1)CC[N@H+]2C ZINC000106727524 222388768 /nfs/dbraw/zinc/38/87/68/222388768.db2.gz LLNFKKKMXMIRTO-QZTJIDSGSA-N 2 2 370.497 0.755 50 0 FCAALP CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)CCC[NH+]1CCOCC1 ZINC000012758826 487557348 /nfs/dbraw/zinc/55/73/48/487557348.db2.gz GUJZEELLKNNWFX-KRWDZBQOSA-N 2 2 368.522 0.404 50 0 FCAALP CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)CCC[NH+]1CCOCC1 ZINC000012758826 487557351 /nfs/dbraw/zinc/55/73/51/487557351.db2.gz GUJZEELLKNNWFX-KRWDZBQOSA-N 2 2 368.522 0.404 50 0 FCAALP [NH3+]CCN1CCCn2nc(C[NH+]3CCC(Oc4ncccn4)CC3)cc2C1 ZINC000072131930 488377865 /nfs/dbraw/zinc/37/78/65/488377865.db2.gz YAKSKAOZNQQTKM-UHFFFAOYSA-N 2 2 371.489 0.881 50 0 FCAALP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072153955 488378564 /nfs/dbraw/zinc/37/85/64/488378564.db2.gz CDNPNAJCIYOEMD-IBGZPJMESA-N 2 2 358.442 0.952 50 0 FCAALP CCc1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@H]1C(=O)NCc1ccncc1 ZINC000072161277 488378748 /nfs/dbraw/zinc/37/87/48/488378748.db2.gz SREUJVNMBHFTBO-INIZCTEOSA-N 2 2 370.457 0.347 50 0 FCAALP O=C(Cn1cc[nH+]c1-c1ccccc1)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072173823 488379287 /nfs/dbraw/zinc/37/92/87/488379287.db2.gz CTXRBRNPIVLWBV-MRXNPFEDSA-N 2 2 353.426 0.629 50 0 FCAALP CCCc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CC[NH+](C)CC2)ccn1 ZINC000072169869 488379327 /nfs/dbraw/zinc/37/93/27/488379327.db2.gz UKVFSKSRFRCTNY-QGZVFWFLSA-N 2 2 359.474 0.222 50 0 FCAALP Nc1nc(NCCn2ncc3ccccc3c2=O)c2c([nH+]1)CC[NH2+]CC2 ZINC000072438030 488381155 /nfs/dbraw/zinc/38/11/55/488381155.db2.gz LPZOZFZJCQXHPI-UHFFFAOYSA-N 2 2 351.414 0.569 50 0 FCAALP O=C(CCc1cc2n(n1)CC[NH2+]C2)N1CC[NH+](CCc2ccccn2)CC1 ZINC000072480346 488381880 /nfs/dbraw/zinc/38/18/80/488381880.db2.gz BHEVNIXDTXHBER-UHFFFAOYSA-N 2 2 368.485 0.701 50 0 FCAALP CCc1n[nH]c2c1C[N@H+](Cc1nnc([C@H]3C[C@H]([NH3+])C3)n1CCOC)CC2 ZINC000244724608 488462055 /nfs/dbraw/zinc/46/20/55/488462055.db2.gz MXEDYHGPJVGVLD-JOCQHMNTSA-N 2 2 359.478 0.973 50 0 FCAALP CCc1n[nH]c2c1C[N@@H+](Cc1nnc([C@H]3C[C@H]([NH3+])C3)n1CCOC)CC2 ZINC000244724608 488462057 /nfs/dbraw/zinc/46/20/57/488462057.db2.gz MXEDYHGPJVGVLD-JOCQHMNTSA-N 2 2 359.478 0.973 50 0 FCAALP CCc1[nH]nc2c1C[N@H+](Cc1nnc([C@H]3C[C@H]([NH3+])C3)n1CCOC)CC2 ZINC000244724608 488462059 /nfs/dbraw/zinc/46/20/59/488462059.db2.gz MXEDYHGPJVGVLD-JOCQHMNTSA-N 2 2 359.478 0.973 50 0 FCAALP CCc1[nH]nc2c1C[N@@H+](Cc1nnc([C@H]3C[C@H]([NH3+])C3)n1CCOC)CC2 ZINC000244724608 488462061 /nfs/dbraw/zinc/46/20/61/488462061.db2.gz MXEDYHGPJVGVLD-JOCQHMNTSA-N 2 2 359.478 0.973 50 0 FCAALP O=C(NCc1[nH]cc[nH+]1)c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000091548302 488465401 /nfs/dbraw/zinc/46/54/01/488465401.db2.gz WWQBSDPMLBHBES-CYBMUJFWSA-N 2 2 363.443 0.370 50 0 FCAALP Cn1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000091737670 488468706 /nfs/dbraw/zinc/46/87/06/488468706.db2.gz ZXSSQAFOLUSQML-GOSISDBHSA-N 2 2 365.478 0.154 50 0 FCAALP Cn1ccc(NC(=O)C[N@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000091737670 488468708 /nfs/dbraw/zinc/46/87/08/488468708.db2.gz ZXSSQAFOLUSQML-GOSISDBHSA-N 2 2 365.478 0.154 50 0 FCAALP COCCc1noc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000091966162 488472605 /nfs/dbraw/zinc/47/26/05/488472605.db2.gz IAULKNXKDRRHMS-GOSISDBHSA-N 2 2 368.478 0.554 50 0 FCAALP COCCc1noc(C[N@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000091966162 488472607 /nfs/dbraw/zinc/47/26/07/488472607.db2.gz IAULKNXKDRRHMS-GOSISDBHSA-N 2 2 368.478 0.554 50 0 FCAALP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)c1cccc(F)c1 ZINC000092065263 488473699 /nfs/dbraw/zinc/47/36/99/488473699.db2.gz AEEWVRTWXJFXFF-QGZVFWFLSA-N 2 2 360.437 0.864 50 0 FCAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000095368015 488481769 /nfs/dbraw/zinc/48/17/69/488481769.db2.gz REQHLOXKXYAAJD-CQSZACIVSA-N 2 2 358.446 0.938 50 0 FCAALP O=C(CC1=CSC2=[NH+]CCN12)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000252479572 488517801 /nfs/dbraw/zinc/51/78/01/488517801.db2.gz BHRKBJLLYAFBFL-HZPDHXFCSA-N 2 2 373.482 0.783 50 0 FCAALP O=C(CC1=CSC2=[NH+]CCN12)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000252479572 488517803 /nfs/dbraw/zinc/51/78/03/488517803.db2.gz BHRKBJLLYAFBFL-HZPDHXFCSA-N 2 2 373.482 0.783 50 0 FCAALP COCCn1c(C[NH+]2CCC(n3cnnc3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252536450 488518755 /nfs/dbraw/zinc/51/87/55/488518755.db2.gz IPETZWUMSFIOPG-HDJSIYSDSA-N 2 2 360.466 0.558 50 0 FCAALP Nc1cc[nH+]cc1-c1ccc(C(=O)N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000426612985 489577018 /nfs/dbraw/zinc/57/70/18/489577018.db2.gz UEXKPQHAWBRTNP-DLBZAZTESA-N 2 2 372.450 0.372 50 0 FCAALP CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC[NH+](Cc2ccncc2)CC1 ZINC000082161374 521702661 /nfs/dbraw/zinc/70/26/61/521702661.db2.gz HLJXYQXVLJUYJH-KRWDZBQOSA-N 2 2 359.474 0.326 50 0 FCAALP CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC[NH+](Cc2ccncc2)CC1 ZINC000082161374 521702662 /nfs/dbraw/zinc/70/26/62/521702662.db2.gz HLJXYQXVLJUYJH-KRWDZBQOSA-N 2 2 359.474 0.326 50 0 FCAALP CC[NH+]1CCNC(=O)[C@@H]1CC(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000082161374 521702664 /nfs/dbraw/zinc/70/26/64/521702664.db2.gz HLJXYQXVLJUYJH-KRWDZBQOSA-N 2 2 359.474 0.326 50 0 FCAALP CC[NH+]1CCNC(=O)[C@@H]1CC(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000082161374 521702665 /nfs/dbraw/zinc/70/26/65/521702665.db2.gz HLJXYQXVLJUYJH-KRWDZBQOSA-N 2 2 359.474 0.326 50 0 FCAALP C[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000091586946 523878114 /nfs/dbraw/zinc/87/81/14/523878114.db2.gz GXULWZTWDBPSOY-LJQANCHMSA-N 2 2 359.474 0.818 50 0 FCAALP C[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000091586946 523878122 /nfs/dbraw/zinc/87/81/22/523878122.db2.gz GXULWZTWDBPSOY-LJQANCHMSA-N 2 2 359.474 0.818 50 0 FCAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(c2cc3nncn3c(N)[nH+]2)C1 ZINC000072422480 536064387 /nfs/dbraw/zinc/06/43/87/536064387.db2.gz FFNKDAKGPDVELP-NSHDSACASA-N 2 2 356.438 0.281 50 0 FCAALP Cc1nn(CCO)c(C)c1C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001529158726 1267037122 /nfs/dbraw/zinc/03/71/22/1267037122.db2.gz JQGFAOUFPBCCQC-UHFFFAOYSA-N 2 2 374.489 0.732 50 0 FCAALP Cc1nn(CCO)c(C)c1C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001529158726 1267037131 /nfs/dbraw/zinc/03/71/31/1267037131.db2.gz JQGFAOUFPBCCQC-UHFFFAOYSA-N 2 2 374.489 0.732 50 0 FCAALP CCc1cc(N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)nc(N2CCCCC2)[nH+]1 ZINC000065403774 221212881 /nfs/dbraw/zinc/21/28/81/221212881.db2.gz WLIORVKXDUMQRS-ROUUACIJSA-N 2 2 374.533 0.826 50 0 FCAALP CCc1cc(N2C[C@H](O)[C@@H]([NH+]3CCN(C)CC3)C2)nc(N2CCCCC2)[nH+]1 ZINC000065403774 221212884 /nfs/dbraw/zinc/21/28/84/221212884.db2.gz WLIORVKXDUMQRS-ROUUACIJSA-N 2 2 374.533 0.826 50 0 FCAALP [NH3+]C1CN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)C1 ZINC000071712247 221355627 /nfs/dbraw/zinc/35/56/27/221355627.db2.gz UGUQSSMLRNQKKD-KRWDZBQOSA-N 3 2 357.502 0.928 50 0 FCAALP [NH3+]C1CN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)C1 ZINC000071712247 221355630 /nfs/dbraw/zinc/35/56/30/221355630.db2.gz UGUQSSMLRNQKKD-KRWDZBQOSA-N 3 2 357.502 0.928 50 0 FCAALP CNc1cc[nH+]c(N2CCC(c3nnc(C[N@H+](C)CCO)n3C)CC2)n1 ZINC000077518547 132188166 /nfs/dbraw/zinc/18/81/66/132188166.db2.gz RPSVOQDLSWKLSU-UHFFFAOYSA-N 2 2 360.466 0.455 50 0 FCAALP CNc1cc[nH+]c(N2CCC(c3nnc(C[N@@H+](C)CCO)n3C)CC2)n1 ZINC000077518547 132188168 /nfs/dbraw/zinc/18/81/68/132188168.db2.gz RPSVOQDLSWKLSU-UHFFFAOYSA-N 2 2 360.466 0.455 50 0 FCAALP CC[N@@H+]1CCC[C@@](C)(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000095354214 132207280 /nfs/dbraw/zinc/20/72/80/132207280.db2.gz PFYNDXPFNIUDBY-LJQANCHMSA-N 2 2 360.506 0.837 50 0 FCAALP CC[N@H+]1CCC[C@@](C)(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000095354214 132207281 /nfs/dbraw/zinc/20/72/81/132207281.db2.gz PFYNDXPFNIUDBY-LJQANCHMSA-N 2 2 360.506 0.837 50 0 FCAALP O=S1(=O)C[C@@H]2[NH2+]CCN(c3cc[nH+]c(NCCc4ccco4)n3)[C@@H]2C1 ZINC000097547412 132229681 /nfs/dbraw/zinc/22/96/81/132229681.db2.gz NMOPVXFLHSQUAL-UONOGXRCSA-N 2 2 363.443 0.299 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000072422065 136146103 /nfs/dbraw/zinc/14/61/03/136146103.db2.gz IZXJRNLCTLVXNI-CYBMUJFWSA-N 2 2 372.477 0.528 50 0 FCAALP COc1ccc(COC[C@H](O)C[NH2+]CCC[NH+]2CCOCC2)cc1OC ZINC000005831190 487491425 /nfs/dbraw/zinc/49/14/25/487491425.db2.gz XLGSGRPLHGIPDA-QGZVFWFLSA-N 2 2 368.474 0.893 50 0 FCAALP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCN(c3ccccc3)CC1)C2=O ZINC000023640995 487637670 /nfs/dbraw/zinc/63/76/70/487637670.db2.gz XEHXSRZOIRFKER-UHFFFAOYSA-N 2 2 357.458 0.782 50 0 FCAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000049765304 488101502 /nfs/dbraw/zinc/10/15/02/488101502.db2.gz MMSXPPKURCSIOR-CVEARBPZSA-N 2 2 358.442 0.949 50 0 FCAALP CN(CC[NH+](C)C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(F)c1 ZINC000072133479 488377843 /nfs/dbraw/zinc/37/78/43/488377843.db2.gz MLYGIEXBMIAWHT-MRXNPFEDSA-N 2 2 350.438 0.536 50 0 FCAALP CN(CC[NH+](C)C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(F)c1 ZINC000072133479 488377844 /nfs/dbraw/zinc/37/78/44/488377844.db2.gz MLYGIEXBMIAWHT-MRXNPFEDSA-N 2 2 350.438 0.536 50 0 FCAALP Nc1nc(NCc2ccco2)c2c([nH+]1)CCN(C(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000072419633 488380224 /nfs/dbraw/zinc/38/02/24/488380224.db2.gz JKJBKPHNGXQBOO-OAHLLOKOSA-N 2 2 356.430 0.943 50 0 FCAALP Cc1cccc2[nH+]c(CNC(=O)CC[N@@H+](C)[C@H]3CCS(=O)(=O)C3)cn21 ZINC000215844061 488440571 /nfs/dbraw/zinc/44/05/71/488440571.db2.gz GAQRUNGNBQTZAN-HNNXBMFYSA-N 2 2 364.471 0.768 50 0 FCAALP Cc1cccc2[nH+]c(CNC(=O)CC[N@H+](C)[C@H]3CCS(=O)(=O)C3)cn21 ZINC000215844061 488440573 /nfs/dbraw/zinc/44/05/73/488440573.db2.gz GAQRUNGNBQTZAN-HNNXBMFYSA-N 2 2 364.471 0.768 50 0 FCAALP Cc1cccn2c(CNC(=O)CC[N@@H+](C)[C@@H]3CCS(=O)(=O)C3)c[nH+]c12 ZINC000243957142 488460600 /nfs/dbraw/zinc/46/06/00/488460600.db2.gz CGMNCHCNNKFTKD-CQSZACIVSA-N 2 2 364.471 0.768 50 0 FCAALP Cc1cccn2c(CNC(=O)CC[N@H+](C)[C@@H]3CCS(=O)(=O)C3)c[nH+]c12 ZINC000243957142 488460602 /nfs/dbraw/zinc/46/06/02/488460602.db2.gz CGMNCHCNNKFTKD-CQSZACIVSA-N 2 2 364.471 0.768 50 0 FCAALP Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244811660 488462397 /nfs/dbraw/zinc/46/23/97/488462397.db2.gz SIUHFICNXKNYBV-TXEJJXNPSA-N 2 2 362.459 0.566 50 0 FCAALP O=C(C1CC1)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000091551741 488465410 /nfs/dbraw/zinc/46/54/10/488465410.db2.gz QLMQGYVSJVNZMZ-OAHLLOKOSA-N 2 2 357.458 0.774 50 0 FCAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)Cn2cccnc2=O)CC1 ZINC000095360200 488481322 /nfs/dbraw/zinc/48/13/22/488481322.db2.gz BWFMUDFUXJTGDM-UHFFFAOYSA-N 2 2 372.473 0.798 50 0 FCAALP NC(=O)Cn1cc[nH+]c1C1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000095511396 488485769 /nfs/dbraw/zinc/48/57/69/488485769.db2.gz YLBJDGDHGBKYKL-UHFFFAOYSA-N 2 2 355.442 0.864 50 0 FCAALP Cc1nc2c(c(=O)n1C)C[N@H+](Cc1ccc(OC[C@H](O)C[NH+](C)C)cc1)C2 ZINC000095530447 488486725 /nfs/dbraw/zinc/48/67/25/488486725.db2.gz CMHUXPQZBZUURT-MRXNPFEDSA-N 2 2 372.469 0.906 50 0 FCAALP Cc1nc2c(c(=O)n1C)C[N@@H+](Cc1ccc(OC[C@H](O)C[NH+](C)C)cc1)C2 ZINC000095530447 488486726 /nfs/dbraw/zinc/48/67/26/488486726.db2.gz CMHUXPQZBZUURT-MRXNPFEDSA-N 2 2 372.469 0.906 50 0 FCAALP Cc1[nH]c2ccc(CC(=O)N3CCC[N@@H+]([C@H]4COC[C@@H]4O)CC3)cc2[nH+]1 ZINC000426612536 489576837 /nfs/dbraw/zinc/57/68/37/489576837.db2.gz GMVIGMKIGFMUHO-ROUUACIJSA-N 2 2 358.442 0.708 50 0 FCAALP Cc1[nH]c2ccc(CC(=O)N3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)cc2[nH+]1 ZINC000426612536 489576839 /nfs/dbraw/zinc/57/68/39/489576839.db2.gz GMVIGMKIGFMUHO-ROUUACIJSA-N 2 2 358.442 0.708 50 0 FCAALP Cc1[nH]c2cc(CC(=O)N3CCC[N@@H+]([C@H]4COC[C@@H]4O)CC3)ccc2[nH+]1 ZINC000426612536 489576840 /nfs/dbraw/zinc/57/68/40/489576840.db2.gz GMVIGMKIGFMUHO-ROUUACIJSA-N 2 2 358.442 0.708 50 0 FCAALP Cc1[nH]c2cc(CC(=O)N3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)ccc2[nH+]1 ZINC000426612536 489576842 /nfs/dbraw/zinc/57/68/42/489576842.db2.gz GMVIGMKIGFMUHO-ROUUACIJSA-N 2 2 358.442 0.708 50 0 FCAALP Cn1cc[nH+]c1CN1CCN(C(=O)Cc2cccc(OCC[NH3+])c2)CC1 ZINC000426705636 489580070 /nfs/dbraw/zinc/58/00/70/489580070.db2.gz HOCMSAKHMQQHNB-UHFFFAOYSA-N 2 2 357.458 0.645 50 0 FCAALP C[NH+]1CCN(CCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000020819658 523899970 /nfs/dbraw/zinc/89/99/70/523899970.db2.gz RZNNJVRCAUTIAY-UHFFFAOYSA-N 2 2 360.502 0.886 50 0 FCAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCOCCO)CC2)C1)N1CCOCC1 ZINC000082087405 526538211 /nfs/dbraw/zinc/53/82/11/526538211.db2.gz LYASUMLKPDVPMV-KRWDZBQOSA-N 2 2 369.506 0.031 50 0 FCAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCOCCO)CC2)C1)N1CCOCC1 ZINC000082087405 526538214 /nfs/dbraw/zinc/53/82/14/526538214.db2.gz LYASUMLKPDVPMV-KRWDZBQOSA-N 2 2 369.506 0.031 50 0 FCAALP O=C(C[N@@H+]1CCOc2ccccc2C1)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082157546 526796937 /nfs/dbraw/zinc/79/69/37/526796937.db2.gz PVOWQLFTOKCPTF-UHFFFAOYSA-N 2 2 355.442 0.887 50 0 FCAALP O=C(C[N@H+]1CCOc2ccccc2C1)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082157546 526796943 /nfs/dbraw/zinc/79/69/43/526796943.db2.gz PVOWQLFTOKCPTF-UHFFFAOYSA-N 2 2 355.442 0.887 50 0 FCAALP COc1cc(N2CCC(c3nnc(Cn4cc[nH+]c4)n3C)CC2)nc(N)[nH+]1 ZINC000092036920 536825033 /nfs/dbraw/zinc/82/50/33/536825033.db2.gz BHGBDOGWUBQIEH-UHFFFAOYSA-N 2 2 369.433 0.825 50 0 FCAALP C[NH+](C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NS(=O)(=O)c1cccnc1 ZINC000169790940 666586594 /nfs/dbraw/zinc/58/65/94/666586594.db2.gz AUMDUBACRBHANL-RHSMWYFYSA-N 2 2 368.503 0.401 50 0 FCAALP C[NH+](C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NS(=O)(=O)c1cccnc1 ZINC000169790940 666586595 /nfs/dbraw/zinc/58/65/95/666586595.db2.gz AUMDUBACRBHANL-RHSMWYFYSA-N 2 2 368.503 0.401 50 0 FCAALP CCc1cc(N2CCC([NH2+]Cc3nc(C(N)=O)no3)CC2)nc(N(C)C)[nH+]1 ZINC000095526865 1181026574 /nfs/dbraw/zinc/02/65/74/1181026574.db2.gz IERQIOPWZHVAJZ-UHFFFAOYSA-N 2 2 374.449 0.346 50 0 FCAALP O=c1cc(C[N@@H+]2CCOC3(CC[NH+](C[C@H]4CCOC4)CC3)C2)[nH]c(=O)[nH]1 ZINC000828407737 1197937015 /nfs/dbraw/zinc/93/70/15/1197937015.db2.gz HBBGLASZLKACGL-CQSZACIVSA-N 2 2 364.446 0.591 50 0 FCAALP O=c1cc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4CCOC4)CC3)C2)[nH]c(=O)[nH]1 ZINC000828407737 1197937020 /nfs/dbraw/zinc/93/70/20/1197937020.db2.gz HBBGLASZLKACGL-CQSZACIVSA-N 2 2 364.446 0.591 50 0 FCAALP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)CO)CCO2 ZINC000828655210 1197941584 /nfs/dbraw/zinc/94/15/84/1197941584.db2.gz AZSLRZQDGZFSDP-SFHVURJKSA-N 3 2 369.550 0.628 50 0 FCAALP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)CO)CCO2 ZINC000828655210 1197941596 /nfs/dbraw/zinc/94/15/96/1197941596.db2.gz AZSLRZQDGZFSDP-SFHVURJKSA-N 3 2 369.550 0.628 50 0 FCAALP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC2(CC1)CN(C[C@H](O)CO)CCO2 ZINC000828655210 1197941615 /nfs/dbraw/zinc/94/16/15/1197941615.db2.gz AZSLRZQDGZFSDP-SFHVURJKSA-N 2 2 369.550 0.628 50 0 FCAALP CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCC1CC[NH+](Cc2ccoc2)CC1 ZINC000823117534 1245319678 /nfs/dbraw/zinc/31/96/78/1245319678.db2.gz IYPAKFCJUVQNTR-QGZVFWFLSA-N 2 2 362.474 0.818 50 0 FCAALP CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCC1CC[NH+](Cc2ccoc2)CC1 ZINC000823117534 1245319683 /nfs/dbraw/zinc/31/96/83/1245319683.db2.gz IYPAKFCJUVQNTR-QGZVFWFLSA-N 2 2 362.474 0.818 50 0 FCAALP CCn1cc[nH+]c1CN(C)C(=O)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000299764391 210013688 /nfs/dbraw/zinc/01/36/88/210013688.db2.gz SFZLGFGMYPLUGN-OAHLLOKOSA-N 2 2 368.503 0.761 50 0 FCAALP Cc1cc(N2CCN(c3nc(N4CC[C@H](O)C4)cc[nH+]3)CC2)nc(N)[nH+]1 ZINC000065383426 221207512 /nfs/dbraw/zinc/20/75/12/221207512.db2.gz KSXOPFUJXUJAQE-ZDUSSCGKSA-N 2 2 356.434 0.055 50 0 FCAALP Cc1cc(=O)[nH]c(CCNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000071757055 221366673 /nfs/dbraw/zinc/36/66/73/221366673.db2.gz VMGOEKLPHOBZPY-HNNXBMFYSA-N 2 2 361.490 0.543 50 0 FCAALP Cc1cc(=O)[nH]c(CCNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000071757055 221366676 /nfs/dbraw/zinc/36/66/76/221366676.db2.gz VMGOEKLPHOBZPY-HNNXBMFYSA-N 2 2 361.490 0.543 50 0 FCAALP CN(CC1CCCC1)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077408312 132184116 /nfs/dbraw/zinc/18/41/16/132184116.db2.gz UKWCQTRBIYKQCX-LSDHHAIUSA-N 2 2 365.503 0.678 50 0 FCAALP CN(C)c1nc(N2CCC(O)CC2)c2c([nH+]1)CCN(C[C@@H]1CC[NH2+]C1)C2 ZINC000077407418 132184173 /nfs/dbraw/zinc/18/41/73/132184173.db2.gz BCVRNELOALVYQJ-CQSZACIVSA-N 2 2 360.506 0.471 50 0 FCAALP C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(c2cc(N)[nH+]c(N)n2)CC3)C1 ZINC000091626044 132202728 /nfs/dbraw/zinc/20/27/28/132202728.db2.gz DMGVXPKTDSZBGB-CYBMUJFWSA-N 2 2 359.478 0.554 50 0 FCAALP C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(c2cc(N)[nH+]c(N)n2)CC3)C1 ZINC000091626044 132202730 /nfs/dbraw/zinc/20/27/30/132202730.db2.gz DMGVXPKTDSZBGB-CYBMUJFWSA-N 2 2 359.478 0.554 50 0 FCAALP C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(c2cc(N)nc(N)[nH+]2)CC3)C1 ZINC000091626044 132202731 /nfs/dbraw/zinc/20/27/31/132202731.db2.gz DMGVXPKTDSZBGB-CYBMUJFWSA-N 2 2 359.478 0.554 50 0 FCAALP C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(c2cc(N)nc(N)[nH+]2)CC3)C1 ZINC000091626044 132202732 /nfs/dbraw/zinc/20/27/32/132202732.db2.gz DMGVXPKTDSZBGB-CYBMUJFWSA-N 2 2 359.478 0.554 50 0 FCAALP Nc1nc(N2CCC(C(=O)N3CCOCC3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244811680 132291470 /nfs/dbraw/zinc/29/14/70/132291470.db2.gz SJDFCOHQTLPISC-OKILXGFUSA-N 2 2 360.462 0.339 50 0 FCAALP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058201186 136130858 /nfs/dbraw/zinc/13/08/58/136130858.db2.gz UUGHHPJHYYXDDR-JKSUJKDBSA-N 2 2 374.489 0.499 50 0 FCAALP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058201186 136130859 /nfs/dbraw/zinc/13/08/59/136130859.db2.gz UUGHHPJHYYXDDR-JKSUJKDBSA-N 2 2 374.489 0.499 50 0 FCAALP Cc1c[nH+]c(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)nc1N(C)C ZINC000095362811 221863538 /nfs/dbraw/zinc/86/35/38/221863538.db2.gz XUZSKSYHWZUMKY-IAGOWNOFSA-N 2 2 363.506 0.600 50 0 FCAALP O[C@H](COc1ccc(OC[C@@H](O)Cn2cc[nH+]c2)cc1)Cn1cc[nH+]c1 ZINC000003902343 487473861 /nfs/dbraw/zinc/47/38/61/487473861.db2.gz BFNAQQMZMYIXFT-HOTGVXAUSA-N 2 2 358.398 0.959 50 0 FCAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](C)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000049762694 488101440 /nfs/dbraw/zinc/10/14/40/488101440.db2.gz XCYZOFLKXOWSJY-HUUCEWRRSA-N 2 2 362.405 0.779 50 0 FCAALP CNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072166292 488378911 /nfs/dbraw/zinc/37/89/11/488378911.db2.gz JNMYEVIVFGQDGA-KRWDZBQOSA-N 2 2 374.485 0.743 50 0 FCAALP CNC(=O)C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072166292 488378912 /nfs/dbraw/zinc/37/89/12/488378912.db2.gz JNMYEVIVFGQDGA-KRWDZBQOSA-N 2 2 374.485 0.743 50 0 FCAALP Cn1c(C[N@H+](C)CCO)nnc1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000077516125 488415030 /nfs/dbraw/zinc/41/50/30/488415030.db2.gz HKMPMQHRIQCWAM-UHFFFAOYSA-N 2 2 364.494 0.041 50 0 FCAALP Cn1c(C[N@@H+](C)CCO)nnc1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000077516125 488415032 /nfs/dbraw/zinc/41/50/32/488415032.db2.gz HKMPMQHRIQCWAM-UHFFFAOYSA-N 2 2 364.494 0.041 50 0 FCAALP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000237512918 488455979 /nfs/dbraw/zinc/45/59/79/488455979.db2.gz BMDGZFREIFCLQS-AEFFLSMTSA-N 2 2 358.486 0.787 50 0 FCAALP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000237512918 488455980 /nfs/dbraw/zinc/45/59/80/488455980.db2.gz BMDGZFREIFCLQS-AEFFLSMTSA-N 2 2 358.486 0.787 50 0 FCAALP C[C@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000237527884 488456048 /nfs/dbraw/zinc/45/60/48/488456048.db2.gz KRGRLKKHONVDAB-WMZOPIPTSA-N 2 2 358.486 0.930 50 0 FCAALP C[C@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1Cc1ccccc1 ZINC000237527884 488456049 /nfs/dbraw/zinc/45/60/49/488456049.db2.gz KRGRLKKHONVDAB-WMZOPIPTSA-N 2 2 358.486 0.930 50 0 FCAALP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000237678622 488456591 /nfs/dbraw/zinc/45/65/91/488456591.db2.gz BMDGZFREIFCLQS-WMZOPIPTSA-N 2 2 358.486 0.787 50 0 FCAALP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000237678622 488456592 /nfs/dbraw/zinc/45/65/92/488456592.db2.gz BMDGZFREIFCLQS-WMZOPIPTSA-N 2 2 358.486 0.787 50 0 FCAALP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000238011247 488458272 /nfs/dbraw/zinc/45/82/72/488458272.db2.gz RFLNIKCORUQHHQ-ZBFHGGJFSA-N 2 2 353.850 0.586 50 0 FCAALP CCn1c(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244773719 488461805 /nfs/dbraw/zinc/46/18/05/488461805.db2.gz PFDRJGWBXYYLKQ-IYBDPMFKSA-N 3 2 362.522 0.925 50 0 FCAALP Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)NCCc3c[nH+]c[nH]3)C2)cn1 ZINC000095353949 488480418 /nfs/dbraw/zinc/48/04/18/488480418.db2.gz TXKFUCLEGFFIBW-KGLIPLIRSA-N 2 2 356.430 0.636 50 0 FCAALP Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)NCCc3c[nH]c[nH+]3)C2)cn1 ZINC000095353949 488480420 /nfs/dbraw/zinc/48/04/20/488480420.db2.gz TXKFUCLEGFFIBW-KGLIPLIRSA-N 2 2 356.430 0.636 50 0 FCAALP CC(C)Nc1ncc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cn1 ZINC000095356185 488480892 /nfs/dbraw/zinc/48/08/92/488480892.db2.gz FWMHWADKDWKNSR-IAGOWNOFSA-N 2 2 363.506 0.794 50 0 FCAALP CC(C)Nc1ncc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cn1 ZINC000095356185 488480894 /nfs/dbraw/zinc/48/08/94/488480894.db2.gz FWMHWADKDWKNSR-IAGOWNOFSA-N 2 2 363.506 0.794 50 0 FCAALP COC(=O)N[C@H](C)C(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000095524949 488486771 /nfs/dbraw/zinc/48/67/71/488486771.db2.gz RGWNLSGOPGERNF-CYBMUJFWSA-N 2 2 351.451 0.895 50 0 FCAALP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-c3[nH]cc[nH+]3)c2)[C@H](O)C1 ZINC000426698222 489580162 /nfs/dbraw/zinc/58/01/62/489580162.db2.gz KTAFPAXWKLPPSK-HZPDHXFCSA-N 2 2 371.441 0.330 50 0 FCAALP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-c3[nH]cc[nH+]3)c2)[C@H](O)C1 ZINC000426698222 489580167 /nfs/dbraw/zinc/58/01/67/489580167.db2.gz KTAFPAXWKLPPSK-HZPDHXFCSA-N 2 2 371.441 0.330 50 0 FCAALP Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1[nH+]ccn1C ZINC000426730605 489581327 /nfs/dbraw/zinc/58/13/27/489581327.db2.gz YHBQTZOYTVXXTP-KRWDZBQOSA-N 2 2 369.469 0.778 50 0 FCAALP Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1[nH+]ccn1C ZINC000426730605 489581330 /nfs/dbraw/zinc/58/13/30/489581330.db2.gz YHBQTZOYTVXXTP-KRWDZBQOSA-N 2 2 369.469 0.778 50 0 FCAALP O=C(COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc1)N1CCCC1 ZINC001772711628 1181711218 /nfs/dbraw/zinc/71/12/18/1181711218.db2.gz GDQWEVGURCMKKS-XLIONFOSSA-N 2 2 359.470 0.702 50 0 FCAALP O=C(COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc1)N1CCCC1 ZINC001772711628 1181711226 /nfs/dbraw/zinc/71/12/26/1181711226.db2.gz GDQWEVGURCMKKS-XLIONFOSSA-N 2 2 359.470 0.702 50 0 FCAALP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)CO)CCO2 ZINC000828655206 1197942983 /nfs/dbraw/zinc/94/29/83/1197942983.db2.gz AZSLRZQDGZFSDP-GOSISDBHSA-N 3 2 369.550 0.628 50 0 FCAALP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)CO)CCO2 ZINC000828655206 1197942997 /nfs/dbraw/zinc/94/29/97/1197942997.db2.gz AZSLRZQDGZFSDP-GOSISDBHSA-N 3 2 369.550 0.628 50 0 FCAALP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC2(CC1)CN(C[C@@H](O)CO)CCO2 ZINC000828655206 1197943012 /nfs/dbraw/zinc/94/30/12/1197943012.db2.gz AZSLRZQDGZFSDP-GOSISDBHSA-N 2 2 369.550 0.628 50 0 FCAALP COCC[N@@H+]1CC[C@@H](C[NH2+]C2CN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000824412336 836522487 /nfs/dbraw/zinc/52/24/87/836522487.db2.gz GBDQODIMGIAFRZ-INIZCTEOSA-N 2 2 367.515 0.926 50 0 FCAALP COCC[N@H+]1CC[C@@H](C[NH2+]C2CN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000824412336 836522494 /nfs/dbraw/zinc/52/24/94/836522494.db2.gz GBDQODIMGIAFRZ-INIZCTEOSA-N 2 2 367.515 0.926 50 0 FCAALP C[NH+]1CCN(CC2(CNc3nc(N4CCC[C@H](O)C4)cc[nH+]3)CC2)CC1 ZINC000065528778 221230625 /nfs/dbraw/zinc/23/06/25/221230625.db2.gz WGNIDNJJIFLUDB-INIZCTEOSA-N 2 2 360.506 0.877 50 0 FCAALP CN1CC[NH+](CC2(CNc3nc(N4CCC[C@H](O)C4)cc[nH+]3)CC2)CC1 ZINC000065528778 221230627 /nfs/dbraw/zinc/23/06/27/221230627.db2.gz WGNIDNJJIFLUDB-INIZCTEOSA-N 2 2 360.506 0.877 50 0 FCAALP C[NH2+]CC[N@H+](C)C[C@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067713994 221274976 /nfs/dbraw/zinc/27/49/76/221274976.db2.gz KNHKGUIFJDTNCJ-GOSISDBHSA-N 2 2 353.438 0.839 50 0 FCAALP C[NH2+]CC[N@@H+](C)C[C@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067713994 221274977 /nfs/dbraw/zinc/27/49/77/221274977.db2.gz KNHKGUIFJDTNCJ-GOSISDBHSA-N 2 2 353.438 0.839 50 0 FCAALP O=C(C1CC[NH+](C2CCCC2)CC1)N1CCNC(=O)[C@H]1Cc1c[nH+]c[nH]1 ZINC000097295134 222173111 /nfs/dbraw/zinc/17/31/11/222173111.db2.gz AWYWWIWGUCZWIP-QGZVFWFLSA-N 2 2 359.474 0.934 50 0 FCAALP O=C(C1CC[NH+](C2CCCC2)CC1)N1CCNC(=O)[C@H]1Cc1c[nH]c[nH+]1 ZINC000097295134 222173114 /nfs/dbraw/zinc/17/31/14/222173114.db2.gz AWYWWIWGUCZWIP-QGZVFWFLSA-N 2 2 359.474 0.934 50 0 FCAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000102705418 222305803 /nfs/dbraw/zinc/30/58/03/222305803.db2.gz JFAKLBZXUICWNB-QLPKVWCKSA-N 2 2 369.473 0.714 50 0 FCAALP C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000011716349 487544540 /nfs/dbraw/zinc/54/45/40/487544540.db2.gz QXXMUQZBYMNQEH-ORPJZTTNSA-N 2 2 374.529 0.776 50 0 FCAALP C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000011716349 487544545 /nfs/dbraw/zinc/54/45/45/487544545.db2.gz QXXMUQZBYMNQEH-ORPJZTTNSA-N 2 2 374.529 0.776 50 0 FCAALP C[N@@H+]1CCN(C(=O)Cn2nnnc2C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000011843783 487546616 /nfs/dbraw/zinc/54/66/16/487546616.db2.gz GJIKAPLRNHYGHA-QGZVFWFLSA-N 2 2 369.473 0.784 50 0 FCAALP C[N@H+]1CCN(C(=O)Cn2nnnc2C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000011843783 487546624 /nfs/dbraw/zinc/54/66/24/487546624.db2.gz GJIKAPLRNHYGHA-QGZVFWFLSA-N 2 2 369.473 0.784 50 0 FCAALP Cc1cccn2c(CC(=O)N3CC[NH2+]C[C@H]3C(=O)N3CCCC3)c[nH+]c12 ZINC000072165822 488378907 /nfs/dbraw/zinc/37/89/07/488378907.db2.gz PYURTJRVPXUENW-INIZCTEOSA-N 2 2 355.442 0.608 50 0 FCAALP C[N@@H+]1CCNC(=O)C12CCN(C(=O)C[NH+]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000216482597 488441863 /nfs/dbraw/zinc/44/18/63/488441863.db2.gz WMDOVECNZXMTLF-GOSISDBHSA-N 2 2 370.497 0.899 50 0 FCAALP C[N@H+]1CCNC(=O)C12CCN(C(=O)C[NH+]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000216482597 488441866 /nfs/dbraw/zinc/44/18/66/488441866.db2.gz WMDOVECNZXMTLF-GOSISDBHSA-N 2 2 370.497 0.899 50 0 FCAALP C[NH+]1CCNC(=O)C12CCN(C(=O)C[N@@H+]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000216482597 488441869 /nfs/dbraw/zinc/44/18/69/488441869.db2.gz WMDOVECNZXMTLF-GOSISDBHSA-N 2 2 370.497 0.899 50 0 FCAALP C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000223140525 488447759 /nfs/dbraw/zinc/44/77/59/488447759.db2.gz JAKYGRCMIKHBIF-CVEARBPZSA-N 2 2 362.430 0.990 50 0 FCAALP C[C@@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1Cc1ccccc1 ZINC000237585182 488456165 /nfs/dbraw/zinc/45/61/65/488456165.db2.gz KRGRLKKHONVDAB-SJLPKXTDSA-N 2 2 358.486 0.930 50 0 FCAALP Cn1c(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244788069 488462024 /nfs/dbraw/zinc/46/20/24/488462024.db2.gz QIUDCDRYNZTSTH-HDJSIYSDSA-N 2 2 353.434 0.832 50 0 FCAALP Cn1c(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244788069 488462026 /nfs/dbraw/zinc/46/20/26/488462026.db2.gz QIUDCDRYNZTSTH-HDJSIYSDSA-N 2 2 353.434 0.832 50 0 FCAALP COCCn1c(C[NH+]2CCC(CNC(C)=O)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244873338 488462524 /nfs/dbraw/zinc/46/25/24/488462524.db2.gz WOJSGCPCBDHOSL-IYBDPMFKSA-N 2 2 364.494 0.477 50 0 FCAALP C[C@@H](C(=O)N(CC[NH+]1CCOCC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000095462480 488484592 /nfs/dbraw/zinc/48/45/92/488484592.db2.gz AIKIGQCIKVROGZ-SFHVURJKSA-N 2 2 360.502 0.988 50 0 FCAALP [NH3+]CCOc1ccc(CC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000426491415 489570829 /nfs/dbraw/zinc/57/08/29/489570829.db2.gz JZIXJXIYUYDQTE-UHFFFAOYSA-N 2 2 374.485 0.333 50 0 FCAALP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000426534180 489573942 /nfs/dbraw/zinc/57/39/42/489573942.db2.gz ZPNDXIKLPWYMGO-UHFFFAOYSA-N 2 2 373.457 0.614 50 0 FCAALP CC1CC[NH+](CCCNC(=O)N2CC[NH+](CCn3cncn3)CC2)CC1 ZINC000584895407 491718981 /nfs/dbraw/zinc/71/89/81/491718981.db2.gz YFOZBHASTJOSCA-UHFFFAOYSA-N 2 2 363.510 0.727 50 0 FCAALP C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000252586082 525057517 /nfs/dbraw/zinc/05/75/17/525057517.db2.gz NIZVIDDHXVZTRJ-SQNIBIBYSA-N 2 2 374.533 0.873 50 0 FCAALP C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000252586082 525057529 /nfs/dbraw/zinc/05/75/29/525057529.db2.gz NIZVIDDHXVZTRJ-SQNIBIBYSA-N 2 2 374.533 0.873 50 0 FCAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCOCCO)CC2)C1)N1CCOCC1 ZINC000082087406 526468350 /nfs/dbraw/zinc/46/83/50/526468350.db2.gz LYASUMLKPDVPMV-QGZVFWFLSA-N 2 2 369.506 0.031 50 0 FCAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCOCCO)CC2)C1)N1CCOCC1 ZINC000082087406 526468354 /nfs/dbraw/zinc/46/83/54/526468354.db2.gz LYASUMLKPDVPMV-QGZVFWFLSA-N 2 2 369.506 0.031 50 0 FCAALP NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000082114566 526883755 /nfs/dbraw/zinc/88/37/55/526883755.db2.gz MPMZIKVWCSXVGV-QGZVFWFLSA-N 2 2 374.485 0.407 50 0 FCAALP NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000082114566 526883758 /nfs/dbraw/zinc/88/37/58/526883758.db2.gz MPMZIKVWCSXVGV-QGZVFWFLSA-N 2 2 374.485 0.407 50 0 FCAALP O=C(COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@]3(CO)C2)cc1)N1CCCC1 ZINC001772711629 1181712026 /nfs/dbraw/zinc/71/20/26/1181712026.db2.gz GDQWEVGURCMKKS-YLJYHZDGSA-N 2 2 359.470 0.702 50 0 FCAALP O=C(COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@]3(CO)C2)cc1)N1CCCC1 ZINC001772711629 1181712038 /nfs/dbraw/zinc/71/20/38/1181712038.db2.gz GDQWEVGURCMKKS-YLJYHZDGSA-N 2 2 359.470 0.702 50 0 FCAALP Cc1ncc(CO)c(C[NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)c1O ZINC000952871817 1206212309 /nfs/dbraw/zinc/21/23/09/1206212309.db2.gz CJXCEVJMQFRYQY-UHFFFAOYSA-N 2 2 364.490 0.162 50 0 FCAALP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000299738494 223078697 /nfs/dbraw/zinc/07/86/97/223078697.db2.gz BMDGZFREIFCLQS-SJLPKXTDSA-N 2 2 358.486 0.787 50 0 FCAALP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000299738494 223078699 /nfs/dbraw/zinc/07/86/99/223078699.db2.gz BMDGZFREIFCLQS-SJLPKXTDSA-N 2 2 358.486 0.787 50 0 FCAALP COCC[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c(OC)c1 ZINC000012575992 220009798 /nfs/dbraw/zinc/00/97/98/220009798.db2.gz UNYVYQMFPDIQSX-KRWDZBQOSA-N 2 2 368.474 0.845 50 0 FCAALP COCC[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c(OC)c1 ZINC000012575992 220009795 /nfs/dbraw/zinc/00/97/95/220009795.db2.gz UNYVYQMFPDIQSX-KRWDZBQOSA-N 2 2 368.474 0.845 50 0 FCAALP CC(C)[NH+]1CCN(C(=O)CCNc2nc(N3CC[C@H](O)C3)cc[nH+]2)CC1 ZINC000065370309 221204195 /nfs/dbraw/zinc/20/41/95/221204195.db2.gz AIMGKJXOBGJFAI-HNNXBMFYSA-N 2 2 362.478 0.402 50 0 FCAALP CC(C)[NH+]1CCN(C(=O)CCNc2nc(N3CC[C@@H](O)C3)cc[nH+]2)CC1 ZINC000065370310 221204359 /nfs/dbraw/zinc/20/43/59/221204359.db2.gz AIMGKJXOBGJFAI-OAHLLOKOSA-N 2 2 362.478 0.402 50 0 FCAALP O=C(NCCc1cn2ccccc2[nH+]1)[C@@]12C[NH2+]C[C@@H]1CN(C(=O)C1CC1)C2 ZINC000065535949 221232661 /nfs/dbraw/zinc/23/26/61/221232661.db2.gz VCPSMKWHPJGPIO-FOIQADDNSA-N 2 2 367.453 0.451 50 0 FCAALP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]([NH3+])CN3C)CC2)c1 ZINC000067654340 221266406 /nfs/dbraw/zinc/26/64/06/221266406.db2.gz RUENNXAOONBZDB-RDJZCZTQSA-N 2 2 362.474 0.379 50 0 FCAALP Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@@H]([NH3+])CO)CC1 ZINC000067756412 221281696 /nfs/dbraw/zinc/28/16/96/221281696.db2.gz IDJYMZNCYYITFJ-KRWDZBQOSA-N 2 2 369.469 0.652 50 0 FCAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000067974877 221311184 /nfs/dbraw/zinc/31/11/84/221311184.db2.gz WUAUPIKPLBHXHF-QGZVFWFLSA-N 2 2 363.506 0.859 50 0 FCAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000067974877 221311187 /nfs/dbraw/zinc/31/11/87/221311187.db2.gz WUAUPIKPLBHXHF-QGZVFWFLSA-N 2 2 363.506 0.859 50 0 FCAALP NC(=O)CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071479609 221349884 /nfs/dbraw/zinc/34/98/84/221349884.db2.gz NSBCDSNZISQQMJ-QGZVFWFLSA-N 2 2 373.501 0.750 50 0 FCAALP NC(=O)CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071479609 221349887 /nfs/dbraw/zinc/34/98/87/221349887.db2.gz NSBCDSNZISQQMJ-QGZVFWFLSA-N 2 2 373.501 0.750 50 0 FCAALP CN(C)c1nc(N2CCC(O)CC2)c2c([nH+]1)CCN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000091974252 132204941 /nfs/dbraw/zinc/20/49/41/132204941.db2.gz HKRUMSDXQIBNGK-INIZCTEOSA-N 2 2 374.489 0.140 50 0 FCAALP CC(C)[NH+]1CCN(c2ccncc2S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000001566409 132253137 /nfs/dbraw/zinc/25/31/37/132253137.db2.gz WCFBEFZKMQYXJI-UHFFFAOYSA-N 2 2 367.519 0.548 50 0 FCAALP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000229741323 132288349 /nfs/dbraw/zinc/28/83/49/132288349.db2.gz UUGHHPJHYYXDDR-HOTGVXAUSA-N 2 2 374.489 0.499 50 0 FCAALP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000229741323 132288350 /nfs/dbraw/zinc/28/83/50/132288350.db2.gz UUGHHPJHYYXDDR-HOTGVXAUSA-N 2 2 374.489 0.499 50 0 FCAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3cc(N)nc[nH+]3)CC2)C1 ZINC000071753266 136140332 /nfs/dbraw/zinc/14/03/32/136140332.db2.gz VPLUHCRJINUSLO-CQSZACIVSA-N 2 2 362.478 0.502 50 0 FCAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3cc(N)nc[nH+]3)CC2)C1 ZINC000071753266 136140333 /nfs/dbraw/zinc/14/03/33/136140333.db2.gz VPLUHCRJINUSLO-CQSZACIVSA-N 2 2 362.478 0.502 50 0 FCAALP CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CC1=CSC2=[NH+]CCN12 ZINC000102441793 222296507 /nfs/dbraw/zinc/29/65/07/222296507.db2.gz MBOOZQHOVJNROD-AAEUAGOBSA-N 2 2 351.476 0.433 50 0 FCAALP O=C(C1CC1)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000102878500 222312472 /nfs/dbraw/zinc/31/24/72/222312472.db2.gz BGNQSDPDYFCGJJ-FOLVSLTJSA-N 2 2 369.469 0.488 50 0 FCAALP O[C@H](COc1cccc(C[NH2+]CCc2cnccn2)c1)C[NH+]1CCOCC1 ZINC000023337633 487633754 /nfs/dbraw/zinc/63/37/54/487633754.db2.gz HTJVRSIOIMYVTC-IBGZPJMESA-N 2 2 372.469 0.881 50 0 FCAALP C[C@@H]([NH3+])C(=O)N1CCC(Cn2cc(C[NH+]3CCSCC3)nn2)CC1 ZINC000023478640 487636491 /nfs/dbraw/zinc/63/64/91/487636491.db2.gz WQSORBFTNUIIRV-CYBMUJFWSA-N 2 2 352.508 0.413 50 0 FCAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](C)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000049765307 488101759 /nfs/dbraw/zinc/10/17/59/488101759.db2.gz MMSXPPKURCSIOR-JKSUJKDBSA-N 2 2 358.442 0.949 50 0 FCAALP O=C(C[N@@H+]1CCNC(=O)CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000065954976 488323455 /nfs/dbraw/zinc/32/34/55/488323455.db2.gz YGTSNQSAMKODSB-UHFFFAOYSA-N 2 2 372.469 0.088 50 0 FCAALP O=C(C[N@H+]1CCNC(=O)CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000065954976 488323457 /nfs/dbraw/zinc/32/34/57/488323457.db2.gz YGTSNQSAMKODSB-UHFFFAOYSA-N 2 2 372.469 0.088 50 0 FCAALP CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000072145633 488378213 /nfs/dbraw/zinc/37/82/13/488378213.db2.gz QIFCCNFMGFLOMO-SFHVURJKSA-N 2 2 374.485 0.550 50 0 FCAALP CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000072145633 488378214 /nfs/dbraw/zinc/37/82/14/488378214.db2.gz QIFCCNFMGFLOMO-SFHVURJKSA-N 2 2 374.485 0.550 50 0 FCAALP NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072148352 488378249 /nfs/dbraw/zinc/37/82/49/488378249.db2.gz LUORBHOQIOWGCT-INIZCTEOSA-N 2 2 360.458 0.483 50 0 FCAALP NC(=O)C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072148352 488378250 /nfs/dbraw/zinc/37/82/50/488378250.db2.gz LUORBHOQIOWGCT-INIZCTEOSA-N 2 2 360.458 0.483 50 0 FCAALP Cc1ccc(C2(C(=O)N3CC[NH2+]C[C@H]3C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000072149274 488378259 /nfs/dbraw/zinc/37/82/59/488378259.db2.gz VBRWXYNAZUUPQD-SFHVURJKSA-N 2 2 370.497 0.601 50 0 FCAALP O=C(Cn1cc[nH+]c1-c1ccccc1)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072173824 488379270 /nfs/dbraw/zinc/37/92/70/488379270.db2.gz CTXRBRNPIVLWBV-INIZCTEOSA-N 2 2 353.426 0.629 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000244796081 488461924 /nfs/dbraw/zinc/46/19/24/488461924.db2.gz RSKSNHXRTFLVHV-SFHVURJKSA-N 2 2 370.457 0.586 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000244796081 488461927 /nfs/dbraw/zinc/46/19/27/488461927.db2.gz RSKSNHXRTFLVHV-SFHVURJKSA-N 2 2 370.457 0.586 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000244796081 488461930 /nfs/dbraw/zinc/46/19/30/488461930.db2.gz RSKSNHXRTFLVHV-SFHVURJKSA-N 2 2 370.457 0.586 50 0 FCAALP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000244796081 488461931 /nfs/dbraw/zinc/46/19/31/488461931.db2.gz RSKSNHXRTFLVHV-SFHVURJKSA-N 2 2 370.457 0.586 50 0 FCAALP C[NH+]1CCN([C@H]2C[N@H+](Cc3cc(=O)c4cc(F)ccc4[nH]3)C[C@@H]2O)CC1 ZINC000091664509 488467009 /nfs/dbraw/zinc/46/70/09/488467009.db2.gz BYQVNDNOPACPBP-HKUYNNGSSA-N 2 2 360.433 0.460 50 0 FCAALP C[NH+]1CCN([C@H]2C[N@@H+](Cc3cc(=O)c4cc(F)ccc4[nH]3)C[C@@H]2O)CC1 ZINC000091664509 488467013 /nfs/dbraw/zinc/46/70/13/488467013.db2.gz BYQVNDNOPACPBP-HKUYNNGSSA-N 2 2 360.433 0.460 50 0 FCAALP COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000091707102 488468184 /nfs/dbraw/zinc/46/81/84/488468184.db2.gz SPOPHJZAGSOMJB-HNNXBMFYSA-N 2 2 361.490 0.732 50 0 FCAALP Nc1nc(NC2CC2)cc(-c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3O)cc2)[nH+]1 ZINC000584897375 491718935 /nfs/dbraw/zinc/71/89/35/491718935.db2.gz ABWUOBRVGMOQPX-GDBMZVCRSA-N 2 2 368.441 0.175 50 0 FCAALP C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000252586080 525058578 /nfs/dbraw/zinc/05/85/78/525058578.db2.gz NIZVIDDHXVZTRJ-KURKYZTESA-N 2 2 374.533 0.873 50 0 FCAALP C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000252586080 525058591 /nfs/dbraw/zinc/05/85/91/525058591.db2.gz NIZVIDDHXVZTRJ-KURKYZTESA-N 2 2 374.533 0.873 50 0 FCAALP CCc1cc(N2CC[NH2+][C@@H](C(=O)NCc3ccncc3)C2)nc(N(C)C)[nH+]1 ZINC000072171645 536145625 /nfs/dbraw/zinc/14/56/25/536145625.db2.gz BBPYVOGDACFUGC-MRXNPFEDSA-N 2 2 369.473 0.595 50 0 FCAALP Cc1cnc(C(=O)N2C[C@H]3C[N@@H+](CCc4[nH+]ccn4C)C[C@]3(CO)C2)cn1 ZINC001772700826 1181650431 /nfs/dbraw/zinc/65/04/31/1181650431.db2.gz FENCSTRWGXLQBI-DNVCBOLYSA-N 2 2 370.457 0.128 50 0 FCAALP Cc1cnc(C(=O)N2C[C@H]3C[N@H+](CCc4[nH+]ccn4C)C[C@]3(CO)C2)cn1 ZINC001772700826 1181650438 /nfs/dbraw/zinc/65/04/38/1181650438.db2.gz FENCSTRWGXLQBI-DNVCBOLYSA-N 2 2 370.457 0.128 50 0 FCAALP Nc1nc2c(c(N3CC[N@H+](Cc4ccco4)[C@H](CCO)C3)n1)CC[NH2+]C2 ZINC000257371918 1183065553 /nfs/dbraw/zinc/06/55/53/1183065553.db2.gz SIESNUUXOFZEAK-CYBMUJFWSA-N 2 2 358.446 0.371 50 0 FCAALP Nc1nc2c(c(N3CC[N@@H+](Cc4ccco4)[C@H](CCO)C3)n1)CC[NH2+]C2 ZINC000257371918 1183065557 /nfs/dbraw/zinc/06/55/57/1183065557.db2.gz SIESNUUXOFZEAK-CYBMUJFWSA-N 2 2 358.446 0.371 50 0 FCAALP CCc1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000426707306 1187750501 /nfs/dbraw/zinc/75/05/01/1187750501.db2.gz ZCGNJWDUXLYDMR-IAGOWNOFSA-N 2 2 357.458 0.982 50 0 FCAALP CCc1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000426707306 1187750509 /nfs/dbraw/zinc/75/05/09/1187750509.db2.gz ZCGNJWDUXLYDMR-IAGOWNOFSA-N 2 2 357.458 0.982 50 0 FCAALP Cc1ccc(C)c2c(=O)cc(C[N@H+]3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)[nH]c12 ZINC000091364736 1213184999 /nfs/dbraw/zinc/18/49/99/1213184999.db2.gz YTPQANKMDXXYES-HKUYNNGSSA-N 2 2 370.497 0.937 50 0 FCAALP O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000072161245 1219213364 /nfs/dbraw/zinc/21/33/64/1219213364.db2.gz UYUIQVRVKIAMOG-INIZCTEOSA-N 2 2 354.458 0.813 50 0 FCAALP C[NH+]1CCC2(CC1)CN(c1nccc(N3CCC[C@@H](O)C3)n1)CC[N@@H+]2C ZINC001704344466 1286231354 /nfs/dbraw/zinc/23/13/54/1286231354.db2.gz ODKVLZONQAYYQW-MRXNPFEDSA-N 2 2 360.506 0.654 50 0 FCAALP C[NH+]1CCC2(CC1)CN(c1nccc(N3CCC[C@@H](O)C3)n1)CC[N@H+]2C ZINC001704344466 1286231359 /nfs/dbraw/zinc/23/13/59/1286231359.db2.gz ODKVLZONQAYYQW-MRXNPFEDSA-N 2 2 360.506 0.654 50 0 FCAALP CCn1cc[nH+]c1CN(C)C(=O)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000299764388 529566956 /nfs/dbraw/zinc/56/69/56/529566956.db2.gz SFZLGFGMYPLUGN-HNNXBMFYSA-N 2 2 368.503 0.761 50 0 FCAALP [NH3+]CCCC[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CCN2C1=O ZINC000014543161 220126030 /nfs/dbraw/zinc/12/60/30/220126030.db2.gz XSSHZBDDRYAFIF-JKSUJKDBSA-N 2 2 364.877 0.980 50 0 FCAALP [NH3+]CCCC[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CCN2C1=O ZINC000014543161 220126034 /nfs/dbraw/zinc/12/60/34/220126034.db2.gz XSSHZBDDRYAFIF-JKSUJKDBSA-N 2 2 364.877 0.980 50 0 FCAALP O=C(CCc1cc[nH+]c(N2CCOCC2)c1)NCCC[NH+]1CCOCC1 ZINC000065269740 221191670 /nfs/dbraw/zinc/19/16/70/221191670.db2.gz LYDKMKYFVINKCY-UHFFFAOYSA-N 2 2 362.474 0.689 50 0 FCAALP NC(=O)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071756768 221364872 /nfs/dbraw/zinc/36/48/72/221364872.db2.gz CRQBRSUMPVVONX-INIZCTEOSA-N 2 2 359.474 0.360 50 0 FCAALP NC(=O)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071756768 221364873 /nfs/dbraw/zinc/36/48/73/221364873.db2.gz CRQBRSUMPVVONX-INIZCTEOSA-N 2 2 359.474 0.360 50 0 FCAALP CS(=O)(=O)c1cnc(NCCn2cc[nH+]c2)nc1[C@H]1CCC[NH2+]C1 ZINC000072421788 221510130 /nfs/dbraw/zinc/51/01/30/221510130.db2.gz LURIFMSYTLUCRS-LBPRGKRZSA-N 2 2 350.448 0.656 50 0 FCAALP Cc1cc(N2CCC(c3nnc(C[N@H+](C)CCO)n3C)CC2)nc(N)[nH+]1 ZINC000077356090 132182266 /nfs/dbraw/zinc/18/22/66/132182266.db2.gz BLLSIEDYWNVZPB-UHFFFAOYSA-N 2 2 360.466 0.304 50 0 FCAALP Cc1cc(N2CCC(c3nnc(C[N@@H+](C)CCO)n3C)CC2)nc(N)[nH+]1 ZINC000077356090 132182268 /nfs/dbraw/zinc/18/22/68/132182268.db2.gz BLLSIEDYWNVZPB-UHFFFAOYSA-N 2 2 360.466 0.304 50 0 FCAALP C[NH+]1CCN(C(=O)C[NH+]2CCN(c3nncc4ccccc43)CC2)CC1 ZINC000093204402 132206428 /nfs/dbraw/zinc/20/64/28/132206428.db2.gz XDFILMBEZXSGNL-UHFFFAOYSA-N 2 2 354.458 0.526 50 0 FCAALP CN(C)c1nc(N2CCC(O)CC2)c2c([nH+]1)CCN(c1cc(N)[nH+]cn1)C2 ZINC000096149217 132220656 /nfs/dbraw/zinc/22/06/56/132220656.db2.gz KFNYATPNUJIASD-UHFFFAOYSA-N 2 2 370.461 0.439 50 0 FCAALP CN(C)c1nc(N2CCC(O)CC2)c2c([nH+]1)CCN(c1cc(N)nc[nH+]1)C2 ZINC000096149217 132220657 /nfs/dbraw/zinc/22/06/57/132220657.db2.gz KFNYATPNUJIASD-UHFFFAOYSA-N 2 2 370.461 0.439 50 0 FCAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3cc(N)nc[nH+]3)CC2)C1 ZINC000071753267 136140287 /nfs/dbraw/zinc/14/02/87/136140287.db2.gz VPLUHCRJINUSLO-AWEZNQCLSA-N 2 2 362.478 0.502 50 0 FCAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3cc(N)nc[nH+]3)CC2)C1 ZINC000071753267 136140288 /nfs/dbraw/zinc/14/02/88/136140288.db2.gz VPLUHCRJINUSLO-AWEZNQCLSA-N 2 2 362.478 0.502 50 0 FCAALP Cc1cccc(N2CCN(C(=O)Cn3nnnc3C[NH+]3CCCC3)CC2)[nH+]1 ZINC000012299475 487550821 /nfs/dbraw/zinc/55/08/21/487550821.db2.gz PKNAZPYJJMSYEW-UHFFFAOYSA-N 2 2 370.461 0.321 50 0 FCAALP NC(=O)CCn1cc(C[N@@H+]2CCO[C@]3(C2)C[NH2+]CCOC3)c2ccccc21 ZINC000072127501 488377739 /nfs/dbraw/zinc/37/77/39/488377739.db2.gz NIWPGHLPOPPQES-FQEVSTJZSA-N 2 2 372.469 0.708 50 0 FCAALP NC(=O)CCn1cc(C[N@H+]2CCO[C@]3(C2)C[NH2+]CCOC3)c2ccccc21 ZINC000072127501 488377740 /nfs/dbraw/zinc/37/77/40/488377740.db2.gz NIWPGHLPOPPQES-FQEVSTJZSA-N 2 2 372.469 0.708 50 0 FCAALP CN1c2ccccc2C2(CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)C1=O ZINC000072161799 488378684 /nfs/dbraw/zinc/37/86/84/488378684.db2.gz JDVREVXQPPRGJH-HNNXBMFYSA-N 2 2 353.426 0.816 50 0 FCAALP C[NH2+]CC(=O)N1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072163297 488378739 /nfs/dbraw/zinc/37/87/39/488378739.db2.gz CLMTYAYYTNJRGY-QGZVFWFLSA-N 2 2 374.485 0.743 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CCC[NH+](C)C)C1 ZINC000072429091 488380841 /nfs/dbraw/zinc/38/08/41/488380841.db2.gz ZZBSQLZQATWBHJ-INIZCTEOSA-N 3 2 364.538 0.903 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CCC[NH+](C)C)C1 ZINC000072429091 488380842 /nfs/dbraw/zinc/38/08/42/488380842.db2.gz ZZBSQLZQATWBHJ-INIZCTEOSA-N 3 2 364.538 0.903 50 0 FCAALP CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000077298030 488410344 /nfs/dbraw/zinc/41/03/44/488410344.db2.gz TWLZIERXAQNZMZ-UHFFFAOYSA-N 2 2 363.510 0.906 50 0 FCAALP O=C(CCc1cn2ccccc2[nH+]1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077323729 488410927 /nfs/dbraw/zinc/41/09/27/488410927.db2.gz HBWYTYYJDFIQKX-FQEVSTJZSA-N 2 2 372.469 0.953 50 0 FCAALP Cc1ccc2[nH+]c(CNC(=O)c3cn(CCN4CC[NH2+]CC4)nn3)cn2c1 ZINC000077425938 488413098 /nfs/dbraw/zinc/41/30/98/488413098.db2.gz DKGLMPGLNPRKRP-UHFFFAOYSA-N 2 2 368.445 0.069 50 0 FCAALP Cc1cccn2c(CC(=O)N3CCOC[C@](O)(C[NH+]4CCCC4)C3)c[nH+]c12 ZINC000077437204 488413166 /nfs/dbraw/zinc/41/31/66/488413166.db2.gz CUHXTTGULVERBA-FQEVSTJZSA-N 2 2 372.469 0.871 50 0 FCAALP OCC1(O)CC[NH+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000215106680 488439707 /nfs/dbraw/zinc/43/97/07/488439707.db2.gz WIRCTFGELMIKOV-UHFFFAOYSA-N 2 2 350.459 0.717 50 0 FCAALP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(S(=O)(=O)N2CCCC2)CC1 ZINC000244796062 488461995 /nfs/dbraw/zinc/46/19/95/488461995.db2.gz RSAPSSIBBPPCQL-UHFFFAOYSA-N 2 2 355.508 0.930 50 0 FCAALP Cc1[nH+]ccn1CCC[N@H+]1CCCN(S(=O)(=O)N2CCCC2)CC1 ZINC000244796062 488461998 /nfs/dbraw/zinc/46/19/98/488461998.db2.gz RSAPSSIBBPPCQL-UHFFFAOYSA-N 2 2 355.508 0.930 50 0 FCAALP CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(S(=O)(=O)NCCC[NH3+])cc1 ZINC000091486845 488463851 /nfs/dbraw/zinc/46/38/51/488463851.db2.gz PMJZOWLARHTECR-UHFFFAOYSA-N 2 2 351.432 0.309 50 0 FCAALP COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC000091562817 488465204 /nfs/dbraw/zinc/46/52/04/488465204.db2.gz SMAKAXVLGNPPIS-AWEZNQCLSA-N 2 2 361.446 0.011 50 0 FCAALP Cc1[nH+]cn(CC(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C2)c1C ZINC000091830772 488470549 /nfs/dbraw/zinc/47/05/49/488470549.db2.gz HVGWCXIIRCVVNC-IAGOWNOFSA-N 2 2 351.495 0.060 50 0 FCAALP Cc1[nH+]cn(CC(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)c1C ZINC000091830772 488470550 /nfs/dbraw/zinc/47/05/50/488470550.db2.gz HVGWCXIIRCVVNC-IAGOWNOFSA-N 2 2 351.495 0.060 50 0 FCAALP Cc1[nH+]cn(CC(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)c1C ZINC000091830772 488470551 /nfs/dbraw/zinc/47/05/51/488470551.db2.gz HVGWCXIIRCVVNC-IAGOWNOFSA-N 2 2 351.495 0.060 50 0 FCAALP Cc1cc[nH+]c(N2CCN(S(=O)(=O)CCC[NH+]3CCOCC3)CC2)c1 ZINC000331425701 489209260 /nfs/dbraw/zinc/20/92/60/489209260.db2.gz MGFHBFQIQXHNJG-UHFFFAOYSA-N 2 2 368.503 0.564 50 0 FCAALP CC[NH+]1CCC(CNC(=O)N(C)CCc2noc(C)n2)([NH+](C)C)CC1 ZINC000534659677 490395020 /nfs/dbraw/zinc/39/50/20/490395020.db2.gz MDNCKRYYGRSIIO-UHFFFAOYSA-N 2 2 352.483 0.978 50 0 FCAALP C[NH+]1CCN(C(=O)CCc2cc3n(n2)CCC[N@H+](Cc2c[nH]cn2)C3)CC1 ZINC000091547374 523872237 /nfs/dbraw/zinc/87/22/37/523872237.db2.gz BQLDLVSNZIJVBM-UHFFFAOYSA-N 2 2 371.489 0.719 50 0 FCAALP C[NH+]1CCN(C(=O)CCc2cc3n(n2)CCC[N@@H+](Cc2c[nH]cn2)C3)CC1 ZINC000091547374 523872244 /nfs/dbraw/zinc/87/22/44/523872244.db2.gz BQLDLVSNZIJVBM-UHFFFAOYSA-N 2 2 371.489 0.719 50 0 FCAALP C[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091586945 523877896 /nfs/dbraw/zinc/87/78/96/523877896.db2.gz GXULWZTWDBPSOY-IBGZPJMESA-N 2 2 359.474 0.818 50 0 FCAALP C[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091586945 523877902 /nfs/dbraw/zinc/87/79/02/523877902.db2.gz GXULWZTWDBPSOY-IBGZPJMESA-N 2 2 359.474 0.818 50 0 FCAALP [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)nn2)CC1 ZINC000244584332 527412814 /nfs/dbraw/zinc/41/28/14/527412814.db2.gz CXLKKHXHIQXFGB-XHSDSOJGSA-N 2 2 362.478 0.657 50 0 FCAALP Cc1[nH+]ccn1Cc1nnc(C2CCN(c3cc(N)[nH+]c(N)n3)CC2)n1C ZINC000091665307 527452034 /nfs/dbraw/zinc/45/20/34/527452034.db2.gz NPXNNLWUORTJAH-UHFFFAOYSA-N 2 2 368.449 0.707 50 0 FCAALP Cc1[nH+]ccn1Cc1nnc(C2CCN(c3cc(N)nc(N)[nH+]3)CC2)n1C ZINC000091665307 527452041 /nfs/dbraw/zinc/45/20/41/527452041.db2.gz NPXNNLWUORTJAH-UHFFFAOYSA-N 2 2 368.449 0.707 50 0 FCAALP O[C@@H](COc1cccc(C[NH+]2CCOCC2)c1)C[NH+]1CCC(O)CC1 ZINC000020451158 527661348 /nfs/dbraw/zinc/66/13/48/527661348.db2.gz KXJGVYHEEPZOMO-GOSISDBHSA-N 2 2 350.459 0.715 50 0 FCAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](C)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000034065326 571067539 /nfs/dbraw/zinc/06/75/39/571067539.db2.gz SUMPYDPSTNYANT-JKSUJKDBSA-N 2 2 374.441 0.649 50 0 FCAALP O=C(Cn1cnnn1)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001529133786 1267034226 /nfs/dbraw/zinc/03/42/26/1267034226.db2.gz HVQRTICDCUEBFJ-UHFFFAOYSA-N 2 2 366.429 0.593 50 0 FCAALP O=C(Cn1cnnn1)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001529133786 1267034235 /nfs/dbraw/zinc/03/42/35/1267034235.db2.gz HVQRTICDCUEBFJ-UHFFFAOYSA-N 2 2 366.429 0.593 50 0 FCAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)C(=O)[C@H](c1ccccc1)n1cnnn1 ZINC001704325314 1286225444 /nfs/dbraw/zinc/22/54/44/1286225444.db2.gz JSGYYTILEAXBNO-KRWDZBQOSA-N 2 2 368.445 0.884 50 0 FCAALP C[NH+]1CCN(C(=O)c2cncc(N3CCOC4(CC[NH+](C)CC4)C3)n2)CC1 ZINC001772808475 1290901790 /nfs/dbraw/zinc/90/17/90/1290901790.db2.gz RIVBOCLUYITXLW-UHFFFAOYSA-N 2 2 374.489 0.165 50 0 FCAALP OC[C@@H](O)C[N@@H+]1CCOC2(CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000828655364 836542704 /nfs/dbraw/zinc/54/27/04/836542704.db2.gz YOANWKIDUVFJII-HNNXBMFYSA-N 2 2 356.413 0.985 50 0 FCAALP OC[C@@H](O)C[N@H+]1CCOC2(CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000828655364 836542713 /nfs/dbraw/zinc/54/27/13/836542713.db2.gz YOANWKIDUVFJII-HNNXBMFYSA-N 2 2 356.413 0.985 50 0 FCAALP Cn1nc(CC2CC[NH+](C)CC2)nc1CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000096149353 529938548 /nfs/dbraw/zinc/93/85/48/529938548.db2.gz FWDFIXVLWWEEHP-HNNXBMFYSA-N 2 2 369.535 0.361 50 0 FCAALP Cn1nc(CC2CC[NH+](C)CC2)nc1CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000096149353 529938549 /nfs/dbraw/zinc/93/85/49/529938549.db2.gz FWDFIXVLWWEEHP-HNNXBMFYSA-N 2 2 369.535 0.361 50 0 FCAALP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000013694360 220086877 /nfs/dbraw/zinc/08/68/77/220086877.db2.gz TVZUJJASZCKFFQ-UHFFFAOYSA-N 2 2 357.414 0.587 50 0 FCAALP CCOc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CC[NH+](C)CC3)=[NH+]2)cc1 ZINC000019533529 220268656 /nfs/dbraw/zinc/26/86/56/220268656.db2.gz SVFVIIQHCXKACB-HNNXBMFYSA-N 2 2 359.430 0.516 50 0 FCAALP C[NH+]1CCN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000067458496 221255566 /nfs/dbraw/zinc/25/55/66/221255566.db2.gz HMWABRHAWKBQTN-UHFFFAOYSA-N 2 2 373.501 0.770 50 0 FCAALP O=c1n(CC[NH+]2CCOCC2)nc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000067846827 221293866 /nfs/dbraw/zinc/29/38/66/221293866.db2.gz ACHHZDDHLUQKSQ-UHFFFAOYSA-N 2 2 371.485 0.892 50 0 FCAALP COc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)C[NH3+])CC1 ZINC000067868857 221298561 /nfs/dbraw/zinc/29/85/61/221298561.db2.gz NEUSMQDSWABREX-UHFFFAOYSA-N 2 2 355.442 0.992 50 0 FCAALP C[N@@H+]1CCNC(=O)C12CCN(C(=O)C[NH+]1CC[C@H](c3ccccc3)C1)CC2 ZINC000067879898 221300268 /nfs/dbraw/zinc/30/02/68/221300268.db2.gz WMDOVECNZXMTLF-SFHVURJKSA-N 2 2 370.497 0.899 50 0 FCAALP C[N@H+]1CCNC(=O)C12CCN(C(=O)C[NH+]1CC[C@H](c3ccccc3)C1)CC2 ZINC000067879898 221300270 /nfs/dbraw/zinc/30/02/70/221300270.db2.gz WMDOVECNZXMTLF-SFHVURJKSA-N 2 2 370.497 0.899 50 0 FCAALP C[NH+]1CCNC(=O)C12CCN(C(=O)C[N@@H+]1CC[C@H](c3ccccc3)C1)CC2 ZINC000067879898 221300274 /nfs/dbraw/zinc/30/02/74/221300274.db2.gz WMDOVECNZXMTLF-SFHVURJKSA-N 2 2 370.497 0.899 50 0 FCAALP C[NH+]1CCNC(=O)C12CCN(C(=O)C[N@H+]1CC[C@H](c3ccccc3)C1)CC2 ZINC000067879898 221300277 /nfs/dbraw/zinc/30/02/77/221300277.db2.gz WMDOVECNZXMTLF-SFHVURJKSA-N 2 2 370.497 0.899 50 0 FCAALP Cc1ccc[nH+]c1N1CCN(c2nc(N(C)C[C@H](O)CO)cc[nH+]2)CC1 ZINC000096133831 132219629 /nfs/dbraw/zinc/21/96/29/132219629.db2.gz BFLQMPWSMBSTTQ-HNNXBMFYSA-N 2 2 358.446 0.296 50 0 FCAALP [NH3+]C1CC[NH+](CC(=O)N2CCN(c3ncnc4ccsc43)CC2)CC1 ZINC000097019889 132226830 /nfs/dbraw/zinc/22/68/30/132226830.db2.gz UBKXNVZPXLOOCL-UHFFFAOYSA-N 2 2 360.487 0.763 50 0 FCAALP COc1cccc(C[N@@H+]2CCN(c3cc(N)[nH+]c(N)n3)C[C@H]2CCO)c1 ZINC000106950612 132266108 /nfs/dbraw/zinc/26/61/08/132266108.db2.gz CBDSFCFQBXAMNA-CQSZACIVSA-N 2 2 358.446 0.723 50 0 FCAALP COc1cccc(C[N@H+]2CCN(c3cc(N)[nH+]c(N)n3)C[C@H]2CCO)c1 ZINC000106950612 132266109 /nfs/dbraw/zinc/26/61/09/132266109.db2.gz CBDSFCFQBXAMNA-CQSZACIVSA-N 2 2 358.446 0.723 50 0 FCAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(c2cc(N)[nH+]c(N)n2)C1 ZINC000072477742 136149480 /nfs/dbraw/zinc/14/94/80/136149480.db2.gz DOIFKVQAKAGBRV-GFCCVEGCSA-N 2 2 357.466 0.749 50 0 FCAALP CC[NH+]1CCN(C2=[NH+][C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2)CC1 ZINC000096305609 222112998 /nfs/dbraw/zinc/11/29/98/222112998.db2.gz AORCDTISQGITMF-HNNXBMFYSA-N 2 2 359.430 0.516 50 0 FCAALP CCn1c2ccccc2n(CC(=O)N2CCC3(CC2)[NH2+]CCNC3=O)c1=[NH2+] ZINC000101992079 222287973 /nfs/dbraw/zinc/28/79/73/222287973.db2.gz SSRLUEFCOJKFEQ-UHFFFAOYSA-N 2 2 370.457 0.023 50 0 FCAALP C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C(=O)CCCCc2ccccc2)CC1 ZINC000072154588 488378643 /nfs/dbraw/zinc/37/86/43/488378643.db2.gz RTGIUNLDNSEFOB-IBGZPJMESA-N 2 2 372.513 0.974 50 0 FCAALP CCOCC[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072407469 488379934 /nfs/dbraw/zinc/37/99/34/488379934.db2.gz ZSEPGSAENKIEDI-OAHLLOKOSA-N 2 2 351.495 0.988 50 0 FCAALP CCOCC[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072407469 488379935 /nfs/dbraw/zinc/37/99/35/488379935.db2.gz ZSEPGSAENKIEDI-OAHLLOKOSA-N 2 2 351.495 0.988 50 0 FCAALP O=C([C@@H]1C[NH2+]CCO1)N1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000215897982 488440517 /nfs/dbraw/zinc/44/05/17/488440517.db2.gz WRFFWRCOGCXOCX-FQEVSTJZSA-N 2 2 372.513 0.784 50 0 FCAALP O[C@H]1C[N@H+](Cc2ccccc2OCCn2cc[nH+]c2)C[C@@H]1N1CCOCC1 ZINC000216449615 488441948 /nfs/dbraw/zinc/44/19/48/488441948.db2.gz CPOFEQOBQOKBGO-OALUTQOASA-N 2 2 372.469 0.839 50 0 FCAALP O[C@H]1C[N@@H+](Cc2ccccc2OCCn2cc[nH+]c2)C[C@@H]1N1CCOCC1 ZINC000216449615 488441951 /nfs/dbraw/zinc/44/19/51/488441951.db2.gz CPOFEQOBQOKBGO-OALUTQOASA-N 2 2 372.469 0.839 50 0 FCAALP C[C@@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1Cc1ccccc1 ZINC000237564651 488456338 /nfs/dbraw/zinc/45/63/38/488456338.db2.gz KRGRLKKHONVDAB-AEFFLSMTSA-N 2 2 358.486 0.930 50 0 FCAALP COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000091270370 488462292 /nfs/dbraw/zinc/46/22/92/488462292.db2.gz SMAKAXVLGNPPIS-CQSZACIVSA-N 2 2 361.446 0.011 50 0 FCAALP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000095401402 488484150 /nfs/dbraw/zinc/48/41/50/488484150.db2.gz DFTQILLUGJNGJE-SFHVURJKSA-N 2 2 352.523 0.727 50 0 FCAALP CC(C)C[N@@H+]1CCCN(c2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426494335 489571088 /nfs/dbraw/zinc/57/10/88/489571088.db2.gz HCNXAWFDYLBYIC-MRXNPFEDSA-N 2 2 363.506 1.553 50 0 FCAALP CC(C)C[N@H+]1CCCN(c2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426494335 489571092 /nfs/dbraw/zinc/57/10/92/489571092.db2.gz HCNXAWFDYLBYIC-MRXNPFEDSA-N 2 2 363.506 1.553 50 0 FCAALP C[NH+](C)CCNC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000078578450 521785174 /nfs/dbraw/zinc/78/51/74/521785174.db2.gz ZVZNNBGWYMODJV-UHFFFAOYSA-N 2 2 368.503 0.055 50 0 FCAALP C[N@@H+]1CCCN(c2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000240662508 523811480 /nfs/dbraw/zinc/81/14/80/523811480.db2.gz PLTFBSIYBBLOTO-ZDUSSCGKSA-N 2 2 353.492 0.489 50 0 FCAALP C[N@H+]1CCCN(c2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000240662508 523811484 /nfs/dbraw/zinc/81/14/84/523811484.db2.gz PLTFBSIYBBLOTO-ZDUSSCGKSA-N 2 2 353.492 0.489 50 0 FCAALP C[N@@H+]1CC2(C[C@H]1C(=O)N1CC[NH+](C)CC1)CCN(C(=O)c1ccco1)CC2 ZINC000675012074 1183113362 /nfs/dbraw/zinc/11/33/62/1183113362.db2.gz ZISLNNJFLIREDZ-INIZCTEOSA-N 2 2 374.485 0.980 50 0 FCAALP CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000012711268 220020393 /nfs/dbraw/zinc/02/03/93/220020393.db2.gz GBIWRXLHETUQDE-MRXNPFEDSA-N 2 2 368.522 0.450 50 0 FCAALP CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000012711268 220020397 /nfs/dbraw/zinc/02/03/97/220020397.db2.gz GBIWRXLHETUQDE-MRXNPFEDSA-N 2 2 368.522 0.450 50 0 FCAALP S=C(NCCC[NH+]1CCOCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000013692776 220086887 /nfs/dbraw/zinc/08/68/87/220086887.db2.gz SRSIBNCYNPPRAR-UHFFFAOYSA-N 2 2 363.531 0.796 50 0 FCAALP C[NH2+]CC[N@H+](C)C[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067713995 221274596 /nfs/dbraw/zinc/27/45/96/221274596.db2.gz KNHKGUIFJDTNCJ-SFHVURJKSA-N 2 2 353.438 0.839 50 0 FCAALP C[NH2+]CC[N@@H+](C)C[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067713995 221274600 /nfs/dbraw/zinc/27/46/00/221274600.db2.gz KNHKGUIFJDTNCJ-SFHVURJKSA-N 2 2 353.438 0.839 50 0 FCAALP C[C@@H](O)[C@H]([NH3+])C(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067954470 221308368 /nfs/dbraw/zinc/30/83/68/221308368.db2.gz UBFGYEMAMQEGJI-PBHICJAKSA-N 2 2 370.457 0.128 50 0 FCAALP COc1ccnc(N2CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)[nH+]c(N)n3)CC2)n1 ZINC000244691828 132290291 /nfs/dbraw/zinc/29/02/91/132290291.db2.gz JJWKIGHLUTVSNH-TXEJJXNPSA-N 2 2 356.434 0.389 50 0 FCAALP NC(=O)c1cccnc1N1CC[NH+](C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)CC1 ZINC000063855308 136133014 /nfs/dbraw/zinc/13/30/14/136133014.db2.gz AQFXSNOWRNYHIP-YLJYHZDGSA-N 2 2 373.501 0.682 50 0 FCAALP NC(=O)c1cccnc1N1CC[NH+](C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)CC1 ZINC000063855308 136133015 /nfs/dbraw/zinc/13/30/15/136133015.db2.gz AQFXSNOWRNYHIP-YLJYHZDGSA-N 2 2 373.501 0.682 50 0 FCAALP CCOc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](CC)CC3)=[NH+]2)cc1 ZINC000005790804 487491761 /nfs/dbraw/zinc/49/17/61/487491761.db2.gz FLADRWREEAAIDJ-MRXNPFEDSA-N 2 2 373.457 0.906 50 0 FCAALP CS(=O)(=O)c1cnc(NCCc2c[nH]c[nH+]2)nc1[C@H]1CCC[NH2+]C1 ZINC000072407752 488380031 /nfs/dbraw/zinc/38/00/31/488380031.db2.gz RUWZRHIXMHWTBO-NSHDSACASA-N 2 2 350.448 0.725 50 0 FCAALP CS(=O)(=O)c1cnc(NCCc2c[nH+]c[nH]2)nc1[C@H]1CCC[NH2+]C1 ZINC000072407752 488380032 /nfs/dbraw/zinc/38/00/32/488380032.db2.gz RUWZRHIXMHWTBO-NSHDSACASA-N 2 2 350.448 0.725 50 0 FCAALP CN(Cc1[nH]cc[nH+]1)c1nc(N)[nH+]c2c1CCN(c1ncccn1)CC2 ZINC000072435812 488381059 /nfs/dbraw/zinc/38/10/59/488381059.db2.gz TUMVQVLPVSVUNN-UHFFFAOYSA-N 2 2 351.418 0.814 50 0 FCAALP C[N@H+](CC(=O)N1CCOC[C@](O)(C[NH+]2CCCC2)C1)Cc1ccccn1 ZINC000077355875 488411723 /nfs/dbraw/zinc/41/17/23/488411723.db2.gz IGLCOBYBNPKZIG-IBGZPJMESA-N 2 2 362.474 0.199 50 0 FCAALP C[N@@H+](CC(=O)N1CCOC[C@](O)(C[NH+]2CCCC2)C1)Cc1ccccn1 ZINC000077355875 488411724 /nfs/dbraw/zinc/41/17/24/488411724.db2.gz IGLCOBYBNPKZIG-IBGZPJMESA-N 2 2 362.474 0.199 50 0 FCAALP NC(=O)[C@H]1C[N@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)CCO1 ZINC000215573679 488440447 /nfs/dbraw/zinc/44/04/47/488440447.db2.gz PKJJVKGQTJAGKL-GOSISDBHSA-N 2 2 363.458 0.474 50 0 FCAALP NC(=O)[C@H]1C[N@@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)CCO1 ZINC000215573679 488440449 /nfs/dbraw/zinc/44/04/49/488440449.db2.gz PKJJVKGQTJAGKL-GOSISDBHSA-N 2 2 363.458 0.474 50 0 FCAALP NC(=O)Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000095522964 488486249 /nfs/dbraw/zinc/48/62/49/488486249.db2.gz RZXSJIRIFCWOSO-CQSZACIVSA-N 2 2 366.425 0.756 50 0 FCAALP NC(=O)Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000095522964 488486250 /nfs/dbraw/zinc/48/62/50/488486250.db2.gz RZXSJIRIFCWOSO-CQSZACIVSA-N 2 2 366.425 0.756 50 0 FCAALP COc1cc(C[NH+]2CC(O)C2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000095521910 488486619 /nfs/dbraw/zinc/48/66/19/488486619.db2.gz DIAFMCNSNKUJTF-QGZVFWFLSA-N 2 2 366.458 0.068 50 0 FCAALP O[C@H](COc1cccc(C[NH+]2CCOCC2)c1)C[NH+]1CCC(O)CC1 ZINC000020451160 526291435 /nfs/dbraw/zinc/29/14/35/526291435.db2.gz KXJGVYHEEPZOMO-SFHVURJKSA-N 2 2 350.459 0.715 50 0 FCAALP O=C(C[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000091593923 526784355 /nfs/dbraw/zinc/78/43/55/526784355.db2.gz ATENPXNJXTYVIA-QGZVFWFLSA-N 2 2 369.473 0.734 50 0 FCAALP O=C(Cn1nnnc1C[NH+]1CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000019794479 527432612 /nfs/dbraw/zinc/43/26/12/527432612.db2.gz YCOKJOVIUZXUDQ-UHFFFAOYSA-N 2 2 361.494 0.746 50 0 FCAALP O=C(Cn1nnnc1C[NH+]1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000019794479 527432620 /nfs/dbraw/zinc/43/26/20/527432620.db2.gz YCOKJOVIUZXUDQ-UHFFFAOYSA-N 2 2 361.494 0.746 50 0 FCAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](C)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000034065325 571067302 /nfs/dbraw/zinc/06/73/02/571067302.db2.gz SUMPYDPSTNYANT-HZPDHXFCSA-N 2 2 374.441 0.649 50 0 FCAALP Cc1cnc(C(=O)N2C[C@@H]3C[N@@H+](CCc4[nH+]ccn4C)C[C@]3(CO)C2)cn1 ZINC001772700827 1181651054 /nfs/dbraw/zinc/65/10/54/1181651054.db2.gz FENCSTRWGXLQBI-HNAYVOBHSA-N 2 2 370.457 0.128 50 0 FCAALP Cc1cnc(C(=O)N2C[C@@H]3C[N@H+](CCc4[nH+]ccn4C)C[C@]3(CO)C2)cn1 ZINC001772700827 1181651061 /nfs/dbraw/zinc/65/10/61/1181651061.db2.gz FENCSTRWGXLQBI-HNAYVOBHSA-N 2 2 370.457 0.128 50 0 FCAALP COc1cc2[nH+]c(N3C[C@H]4C[NH2+]C[C@@]4(C[NH+](C)C)C3)nc(N)c2cc1OC ZINC001772709880 1181700090 /nfs/dbraw/zinc/70/00/90/1181700090.db2.gz NZPGNXLVYZHWLB-CWTRNNRKSA-N 3 2 372.473 0.817 50 0 FCAALP C[N@@H+]1CC2(C[C@@H]1C(=O)N1CC[NH+](C)CC1)CCN(C(=O)c1ccco1)CC2 ZINC000675012076 1183112790 /nfs/dbraw/zinc/11/27/90/1183112790.db2.gz ZISLNNJFLIREDZ-MRXNPFEDSA-N 2 2 374.485 0.980 50 0 FCAALP NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)C1 ZINC000952976213 1206216736 /nfs/dbraw/zinc/21/67/36/1206216736.db2.gz VBFMIGHMKNFGLX-BZSNNMDCSA-N 2 2 356.470 0.669 50 0 FCAALP NC(=O)C[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)C1 ZINC000952976213 1206216740 /nfs/dbraw/zinc/21/67/40/1206216740.db2.gz VBFMIGHMKNFGLX-BZSNNMDCSA-N 2 2 356.470 0.669 50 0 FCAALP NC(=O)C[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)C1 ZINC000952976213 1206216743 /nfs/dbraw/zinc/21/67/43/1206216743.db2.gz VBFMIGHMKNFGLX-BZSNNMDCSA-N 2 2 356.470 0.669 50 0 FCAALP NC(=O)C[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)C1 ZINC000952976213 1206216746 /nfs/dbraw/zinc/21/67/46/1206216746.db2.gz VBFMIGHMKNFGLX-BZSNNMDCSA-N 2 2 356.470 0.669 50 0 FCAALP COCC[N@@H+]1CC[C@H](C[NH2+]C2CN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000824412337 836522353 /nfs/dbraw/zinc/52/23/53/836522353.db2.gz GBDQODIMGIAFRZ-MRXNPFEDSA-N 2 2 367.515 0.926 50 0 FCAALP COCC[N@H+]1CC[C@H](C[NH2+]C2CN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000824412337 836522363 /nfs/dbraw/zinc/52/23/63/836522363.db2.gz GBDQODIMGIAFRZ-MRXNPFEDSA-N 2 2 367.515 0.926 50 0 FCAALP Cc1[nH+]cn(CCNC(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)c1C ZINC000299764352 223086303 /nfs/dbraw/zinc/08/63/03/223086303.db2.gz UMTDTRHWDOPDSN-MRXNPFEDSA-N 2 2 368.503 0.515 50 0 FCAALP COCC[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3CO)CC2)C1 ZINC000055281904 221064553 /nfs/dbraw/zinc/06/45/53/221064553.db2.gz ROXXBFYISVEWFY-GOSISDBHSA-N 2 2 361.486 0.791 50 0 FCAALP COCC[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3CO)CC2)C1 ZINC000055281904 221064555 /nfs/dbraw/zinc/06/45/55/221064555.db2.gz ROXXBFYISVEWFY-GOSISDBHSA-N 2 2 361.486 0.791 50 0 FCAALP Cc1cc(N2CCN(c3nc(N4CC[C@@H](O)C4)cc[nH+]3)CC2)nc(N)[nH+]1 ZINC000065383427 221207289 /nfs/dbraw/zinc/20/72/89/221207289.db2.gz KSXOPFUJXUJAQE-CYBMUJFWSA-N 2 2 356.434 0.055 50 0 FCAALP CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000065506779 221228535 /nfs/dbraw/zinc/22/85/35/221228535.db2.gz CGJKWGOWZVSCEI-INIZCTEOSA-N 2 2 366.506 0.347 50 0 FCAALP CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000065506779 221228536 /nfs/dbraw/zinc/22/85/36/221228536.db2.gz CGJKWGOWZVSCEI-INIZCTEOSA-N 2 2 366.506 0.347 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1)CC[N@@H+]2C ZINC000067771230 221283412 /nfs/dbraw/zinc/28/34/12/221283412.db2.gz LLNFKKKMXMIRTO-ZWKOTPCHSA-N 2 2 370.497 0.755 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1)CC[N@H+]2C ZINC000067771230 221283415 /nfs/dbraw/zinc/28/34/15/221283415.db2.gz LLNFKKKMXMIRTO-ZWKOTPCHSA-N 2 2 370.497 0.755 50 0 FCAALP C[C@H](CC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000067886640 221301034 /nfs/dbraw/zinc/30/10/34/221301034.db2.gz UVWIAKMCMKLKNV-MRXNPFEDSA-N 2 2 361.490 0.560 50 0 FCAALP Cc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000071757054 221366343 /nfs/dbraw/zinc/36/63/43/221366343.db2.gz VMGOEKLPHOBZPY-OAHLLOKOSA-N 2 2 361.490 0.543 50 0 FCAALP Cc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000071757054 221366344 /nfs/dbraw/zinc/36/63/44/221366344.db2.gz VMGOEKLPHOBZPY-OAHLLOKOSA-N 2 2 361.490 0.543 50 0 FCAALP O=c1cc(N2CC[NH+](C[C@]3(O)CC[NH2+]C3)CC2)c(-c2ccccc2)n[nH]1 ZINC000077422155 132184547 /nfs/dbraw/zinc/18/45/47/132184547.db2.gz BGICCGYYWUWGEM-IBGZPJMESA-N 2 2 355.442 0.283 50 0 FCAALP O=C([O-])[C@]12C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]1C[N@@H+](CCO)C2 ZINC000096135803 222039468 /nfs/dbraw/zinc/03/94/68/222039468.db2.gz RECMOMQOJQHJNL-WIYYLYMNSA-N 2 2 373.497 0.962 50 0 FCAALP O=C([O-])[C@]12C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]1C[N@H+](CCO)C2 ZINC000096135803 222039471 /nfs/dbraw/zinc/03/94/71/222039471.db2.gz RECMOMQOJQHJNL-WIYYLYMNSA-N 2 2 373.497 0.962 50 0 FCAALP O=C([O-])[C@@]12C[NH+](CCO)C[C@@H]1C[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000096135803 222039474 /nfs/dbraw/zinc/03/94/74/222039474.db2.gz RECMOMQOJQHJNL-WIYYLYMNSA-N 2 2 373.497 0.962 50 0 FCAALP O=C([O-])[C@@]12C[NH+](CCO)C[C@@H]1C[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000096135803 222039477 /nfs/dbraw/zinc/03/94/77/222039477.db2.gz RECMOMQOJQHJNL-WIYYLYMNSA-N 2 2 373.497 0.962 50 0 FCAALP C[N@@H+]1CCN(C(=O)Cn2nnnc2C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000011843784 487546327 /nfs/dbraw/zinc/54/63/27/487546327.db2.gz GJIKAPLRNHYGHA-KRWDZBQOSA-N 2 2 369.473 0.784 50 0 FCAALP C[N@H+]1CCN(C(=O)Cn2nnnc2C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000011843784 487546331 /nfs/dbraw/zinc/54/63/31/487546331.db2.gz GJIKAPLRNHYGHA-KRWDZBQOSA-N 2 2 369.473 0.784 50 0 FCAALP COc1cccc(C[NH2+]CCCO)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000023338463 487634303 /nfs/dbraw/zinc/63/43/03/487634303.db2.gz DBFLLQUGWQIFCE-MRXNPFEDSA-N 2 2 354.447 0.239 50 0 FCAALP CCCc1nc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CC[NH+](C)CC2)cs1 ZINC000072143919 488378059 /nfs/dbraw/zinc/37/80/59/488378059.db2.gz CTAVSXVDRVTOIJ-AWEZNQCLSA-N 2 2 365.503 0.284 50 0 FCAALP O=C([C@H]1C[NH2+]CCN1C(=O)c1ccc(Cn2cc[nH+]c2)o1)N1CCCC1 ZINC000072143972 488378066 /nfs/dbraw/zinc/37/80/66/488378066.db2.gz SUJOGCLOBLEQAJ-OAHLLOKOSA-N 2 2 357.414 0.561 50 0 FCAALP CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000072145634 488378120 /nfs/dbraw/zinc/37/81/20/488378120.db2.gz QIFCCNFMGFLOMO-GOSISDBHSA-N 2 2 374.485 0.550 50 0 FCAALP CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000072145634 488378121 /nfs/dbraw/zinc/37/81/21/488378121.db2.gz QIFCCNFMGFLOMO-GOSISDBHSA-N 2 2 374.485 0.550 50 0 FCAALP [NH3+]CC(=O)N1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072147255 488378254 /nfs/dbraw/zinc/37/82/54/488378254.db2.gz ZKBMJRRRSMCBFL-MRXNPFEDSA-N 2 2 360.458 0.483 50 0 FCAALP NC(=O)CC[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072163502 488379122 /nfs/dbraw/zinc/37/91/22/488379122.db2.gz GHEUJFUIIYIKRY-KRWDZBQOSA-N 2 2 374.485 0.873 50 0 FCAALP NC(=O)CC[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072163502 488379123 /nfs/dbraw/zinc/37/91/23/488379123.db2.gz GHEUJFUIIYIKRY-KRWDZBQOSA-N 2 2 374.485 0.873 50 0 FCAALP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)CC1 ZINC000072426318 488380539 /nfs/dbraw/zinc/38/05/39/488380539.db2.gz WOWVCDMSKZUGBE-MRXNPFEDSA-N 3 2 360.506 0.138 50 0 FCAALP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)CC1 ZINC000072426318 488380540 /nfs/dbraw/zinc/38/05/40/488380540.db2.gz WOWVCDMSKZUGBE-MRXNPFEDSA-N 3 2 360.506 0.138 50 0 FCAALP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000244724299 488461078 /nfs/dbraw/zinc/46/10/78/488461078.db2.gz MRMPABURSNRHQN-UHFFFAOYSA-N 2 2 360.458 0.911 50 0 FCAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2ccc3nnnn3c2)CC1 ZINC000092021375 488472839 /nfs/dbraw/zinc/47/28/39/488472839.db2.gz WAQSHZSGTQMFAN-UHFFFAOYSA-N 2 2 368.445 0.902 50 0 FCAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000095369999 488481842 /nfs/dbraw/zinc/48/18/42/488481842.db2.gz HBSYZAHZLVFNHR-UHFFFAOYSA-N 2 2 358.446 0.938 50 0 FCAALP Nc1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426420394 489567054 /nfs/dbraw/zinc/56/70/54/489567054.db2.gz RNMYYLQEWAGRTE-CQSZACIVSA-N 2 2 360.462 0.307 50 0 FCAALP CNc1cc(C)[nH+]c(-c2cccc(C(=O)N(CCO)CC[NH+](C)C)c2)n1 ZINC000426578600 489575464 /nfs/dbraw/zinc/57/54/64/489575464.db2.gz MBWKHOPWRSBUJO-UHFFFAOYSA-N 2 2 357.458 1.490 50 0 FCAALP Cn1cc[nH+]c1CN(c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1)C1CC1 ZINC000426715921 489580907 /nfs/dbraw/zinc/58/09/07/489580907.db2.gz MEVWKVQMVHYNDN-ZDUSSCGKSA-N 2 2 358.446 1.287 50 0 FCAALP Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)N3CC[NH+](CCO)CC3)C2)cc1 ZINC000091304076 525205448 /nfs/dbraw/zinc/20/54/48/525205448.db2.gz ZMMHCNCUURAGQO-DLBZAZTESA-N 2 2 374.485 0.296 50 0 FCAALP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@@H+](CCS(C)(=O)=O)C[C@@H]1C(C)C ZINC000091625408 527390762 /nfs/dbraw/zinc/39/07/62/527390762.db2.gz HTKGJRLLVPJLGM-CABCVRRESA-N 2 2 356.492 0.309 50 0 FCAALP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@H+](CCS(C)(=O)=O)C[C@@H]1C(C)C ZINC000091625408 527390768 /nfs/dbraw/zinc/39/07/68/527390768.db2.gz HTKGJRLLVPJLGM-CABCVRRESA-N 2 2 356.492 0.309 50 0 FCAALP Cc1cnc(C(=O)N2C[C@H]3C[N@@H+](CCc4[nH+]ccn4C)C[C@@]3(CO)C2)cn1 ZINC001772700823 1181651316 /nfs/dbraw/zinc/65/13/16/1181651316.db2.gz FENCSTRWGXLQBI-BEFAXECRSA-N 2 2 370.457 0.128 50 0 FCAALP Cc1cnc(C(=O)N2C[C@H]3C[N@H+](CCc4[nH+]ccn4C)C[C@@]3(CO)C2)cn1 ZINC001772700823 1181651328 /nfs/dbraw/zinc/65/13/28/1181651328.db2.gz FENCSTRWGXLQBI-BEFAXECRSA-N 2 2 370.457 0.128 50 0 FCAALP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105162885 1210962724 /nfs/dbraw/zinc/96/27/24/1210962724.db2.gz RTKGEILPFZPYME-KRWDZBQOSA-N 2 2 373.505 0.478 50 0 FCAALP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105162885 1210962730 /nfs/dbraw/zinc/96/27/30/1210962730.db2.gz RTKGEILPFZPYME-KRWDZBQOSA-N 2 2 373.505 0.478 50 0 FCAALP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c(C)c2C)[C@H](O)C1 ZINC000299758689 223082781 /nfs/dbraw/zinc/08/27/81/223082781.db2.gz MDKXZENCYPMDIX-IAGOWNOFSA-N 2 2 361.446 0.856 50 0 FCAALP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c(C)c2C)[C@H](O)C1 ZINC000299758689 223082785 /nfs/dbraw/zinc/08/27/85/223082785.db2.gz MDKXZENCYPMDIX-IAGOWNOFSA-N 2 2 361.446 0.856 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)Cc1nnc(-c3cccnc3)[nH]1)CC[N@@H+]2C ZINC000067714213 221275031 /nfs/dbraw/zinc/27/50/31/221275031.db2.gz SSIVGBVNIMFDTG-UHFFFAOYSA-N 2 2 369.473 0.648 50 0 FCAALP C[NH+]1CCC2(CC1)CN(C(=O)Cc1nnc(-c3cccnc3)[nH]1)CC[N@H+]2C ZINC000067714213 221275033 /nfs/dbraw/zinc/27/50/33/221275033.db2.gz SSIVGBVNIMFDTG-UHFFFAOYSA-N 2 2 369.473 0.648 50 0 FCAALP COCCC(=O)N1CCC2(CC1)CN(Cc1c[nH+]c(C)n1C)CC[N@@H+]2C ZINC000067947143 221307500 /nfs/dbraw/zinc/30/75/00/221307500.db2.gz ZBFBQMAKQRLIAM-UHFFFAOYSA-N 2 2 363.506 0.874 50 0 FCAALP COCCC(=O)N1CCC2(CC1)CN(Cc1c[nH+]c(C)n1C)CC[N@H+]2C ZINC000067947143 221307501 /nfs/dbraw/zinc/30/75/01/221307501.db2.gz ZBFBQMAKQRLIAM-UHFFFAOYSA-N 2 2 363.506 0.874 50 0 FCAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CC(O)C1 ZINC000071765509 221372762 /nfs/dbraw/zinc/37/27/62/221372762.db2.gz OUINYSPZVWCNFW-QGZVFWFLSA-N 2 2 358.486 0.961 50 0 FCAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CC(O)C1 ZINC000071765509 221372765 /nfs/dbraw/zinc/37/27/65/221372765.db2.gz OUINYSPZVWCNFW-QGZVFWFLSA-N 2 2 358.486 0.961 50 0 FCAALP CC[N@@H+]1CCC[C@](C)(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000095354215 132207084 /nfs/dbraw/zinc/20/70/84/132207084.db2.gz PFYNDXPFNIUDBY-IBGZPJMESA-N 2 2 360.506 0.837 50 0 FCAALP CC[N@H+]1CCC[C@](C)(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000095354215 132207086 /nfs/dbraw/zinc/20/70/86/132207086.db2.gz PFYNDXPFNIUDBY-IBGZPJMESA-N 2 2 360.506 0.837 50 0 FCAALP Cc1cc(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000029632457 487727991 /nfs/dbraw/zinc/72/79/91/487727991.db2.gz WNRCIBYZDPUPKU-KRWDZBQOSA-N 2 2 363.506 0.724 50 0 FCAALP Nc1nc(NCCc2nc(-c3ccncc3)n[nH]2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072409285 488380046 /nfs/dbraw/zinc/38/00/46/488380046.db2.gz QQYRDQMZLZUJGG-UHFFFAOYSA-N 2 2 351.418 0.582 50 0 FCAALP CC[NH+]1CCC([NH+]2CCC(c3nnc(C[N@H+](C)CCO)n3C)CC2)CC1 ZINC000077423423 488413123 /nfs/dbraw/zinc/41/31/23/488413123.db2.gz QPZKCAWLYZVVEJ-UHFFFAOYSA-N 3 2 364.538 0.903 50 0 FCAALP CC[NH+]1CCC([NH+]2CCC(c3nnc(C[N@@H+](C)CCO)n3C)CC2)CC1 ZINC000077423423 488413124 /nfs/dbraw/zinc/41/31/24/488413124.db2.gz QPZKCAWLYZVVEJ-UHFFFAOYSA-N 3 2 364.538 0.903 50 0 FCAALP CN(C)c1ncc(C[N@@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)cn1 ZINC000221200315 488445696 /nfs/dbraw/zinc/44/56/96/488445696.db2.gz VNRPWDOWXPLKDP-KRWDZBQOSA-N 2 2 359.478 0.740 50 0 FCAALP CN(C)c1ncc(C[N@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)cn1 ZINC000221200315 488445699 /nfs/dbraw/zinc/44/56/99/488445699.db2.gz VNRPWDOWXPLKDP-KRWDZBQOSA-N 2 2 359.478 0.740 50 0 FCAALP CNC(=O)C1C[NH+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000225387457 488449921 /nfs/dbraw/zinc/44/99/21/488449921.db2.gz NUQBRGSDZYWTAF-OAHLLOKOSA-N 2 2 358.486 0.834 50 0 FCAALP C[N@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1O)Cc1cccnc1 ZINC000244734296 488461906 /nfs/dbraw/zinc/46/19/06/488461906.db2.gz NCVGKEIIUPNVJA-RTBURBONSA-N 2 2 369.469 0.660 50 0 FCAALP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1O)Cc1cccnc1 ZINC000244734296 488461909 /nfs/dbraw/zinc/46/19/09/488461909.db2.gz NCVGKEIIUPNVJA-RTBURBONSA-N 2 2 369.469 0.660 50 0 FCAALP C[NH+](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O)Cc1cccnc1 ZINC000244734296 488461912 /nfs/dbraw/zinc/46/19/12/488461912.db2.gz NCVGKEIIUPNVJA-RTBURBONSA-N 2 2 369.469 0.660 50 0 FCAALP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O)Cc1cccnc1 ZINC000244734296 488461915 /nfs/dbraw/zinc/46/19/15/488461915.db2.gz NCVGKEIIUPNVJA-RTBURBONSA-N 2 2 369.469 0.660 50 0 FCAALP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000095401401 488484184 /nfs/dbraw/zinc/48/41/84/488484184.db2.gz DFTQILLUGJNGJE-GOSISDBHSA-N 2 2 352.523 0.727 50 0 FCAALP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)CC12CC[NH2+]CC2 ZINC000095526499 488487136 /nfs/dbraw/zinc/48/71/36/488487136.db2.gz MOVLBNAOODFIRX-KRWDZBQOSA-N 2 2 371.485 0.326 50 0 FCAALP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)CC12CC[NH2+]CC2 ZINC000095526499 488487139 /nfs/dbraw/zinc/48/71/39/488487139.db2.gz MOVLBNAOODFIRX-KRWDZBQOSA-N 2 2 371.485 0.326 50 0 FCAALP COc1cc(N[C@H]2C[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)nc(N)[nH+]1 ZINC000252527606 488518701 /nfs/dbraw/zinc/51/87/01/488518701.db2.gz CZKPYOHBNKEUGZ-XYPYZODXSA-N 2 2 355.406 0.799 50 0 FCAALP CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000584893056 491718857 /nfs/dbraw/zinc/71/88/57/491718857.db2.gz SZSDFWFJBNVQLC-SFHVURJKSA-N 2 2 373.501 0.506 50 0 FCAALP CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000584893056 491718859 /nfs/dbraw/zinc/71/88/59/491718859.db2.gz SZSDFWFJBNVQLC-SFHVURJKSA-N 2 2 373.501 0.506 50 0 FCAALP CN(C[C@@H]1Cc2ccccc2C[NH+]1C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000584893056 491718861 /nfs/dbraw/zinc/71/88/61/491718861.db2.gz SZSDFWFJBNVQLC-SFHVURJKSA-N 2 2 373.501 0.506 50 0 FCAALP CN(C[C@@H]1Cc2ccccc2C[NH+]1C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000584893056 491718862 /nfs/dbraw/zinc/71/88/62/491718862.db2.gz SZSDFWFJBNVQLC-SFHVURJKSA-N 2 2 373.501 0.506 50 0 FCAALP CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000670452453 493569404 /nfs/dbraw/zinc/56/94/04/493569404.db2.gz MNAOVTKNGHYZHK-UHFFFAOYSA-N 2 2 369.491 0.593 50 0 FCAALP COc1cc(N2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)nc(N)[nH+]1 ZINC000072406820 536828454 /nfs/dbraw/zinc/82/84/54/536828454.db2.gz QQJCKWFJBCRYSX-GOSISDBHSA-N 2 2 362.478 0.838 50 0 FCAALP COc1cc(N2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)[nH+]c(N)n1 ZINC000072406820 536828460 /nfs/dbraw/zinc/82/84/60/536828460.db2.gz QQJCKWFJBCRYSX-GOSISDBHSA-N 2 2 362.478 0.838 50 0 FCAALP O=c1cc(C[N@@H+]2CCOC3(CC[NH+](C[C@@H]4CCOC4)CC3)C2)[nH]c(=O)[nH]1 ZINC000828407735 1197936952 /nfs/dbraw/zinc/93/69/52/1197936952.db2.gz HBBGLASZLKACGL-AWEZNQCLSA-N 2 2 364.446 0.591 50 0 FCAALP O=c1cc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4CCOC4)CC3)C2)[nH]c(=O)[nH]1 ZINC000828407735 1197936961 /nfs/dbraw/zinc/93/69/61/1197936961.db2.gz HBBGLASZLKACGL-AWEZNQCLSA-N 2 2 364.446 0.591 50 0 FCAALP O=C(NCCc1c[nH+]c2ccccn12)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067868924 1218116004 /nfs/dbraw/zinc/11/60/04/1218116004.db2.gz QLISTJIWKVGCBX-CQSZACIVSA-N 2 2 353.430 0.898 50 0 FCAALP C[NH+](C)C1(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC[NH+](C)CC1 ZINC001529090498 1267026424 /nfs/dbraw/zinc/02/64/24/1267026424.db2.gz JAKPVBTWXVIFJM-MSOLQXFVSA-N 2 2 374.485 0.385 50 0 FCAALP NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCC[NH+](Cc3cncs3)CC2)C1 ZINC001529167964 1267038735 /nfs/dbraw/zinc/03/87/35/1267038735.db2.gz UHOFSKLRSZBDHO-AWEZNQCLSA-N 2 2 365.503 0.375 50 0 FCAALP NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[NH+](Cc3cncs3)CC2)C1 ZINC001529167964 1267038738 /nfs/dbraw/zinc/03/87/38/1267038738.db2.gz UHOFSKLRSZBDHO-AWEZNQCLSA-N 2 2 365.503 0.375 50 0 FCAALP NC(=O)C[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](Cc3cncs3)CC2)C1 ZINC001529167964 1267038746 /nfs/dbraw/zinc/03/87/46/1267038746.db2.gz UHOFSKLRSZBDHO-AWEZNQCLSA-N 2 2 365.503 0.375 50 0 FCAALP NC(=O)C[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3cncs3)CC2)C1 ZINC001529167964 1267038750 /nfs/dbraw/zinc/03/87/50/1267038750.db2.gz UHOFSKLRSZBDHO-AWEZNQCLSA-N 2 2 365.503 0.375 50 0 FCAALP CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000067910192 221303955 /nfs/dbraw/zinc/30/39/55/221303955.db2.gz GSJUUBZDIITYJM-IRXDYDNUSA-N 2 2 374.485 0.678 50 0 FCAALP CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000067910192 221303956 /nfs/dbraw/zinc/30/39/56/221303956.db2.gz GSJUUBZDIITYJM-IRXDYDNUSA-N 2 2 374.485 0.678 50 0 FCAALP NC(=O)CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071422137 221347775 /nfs/dbraw/zinc/34/77/75/221347775.db2.gz MOHHRTCEVOJBRW-QGZVFWFLSA-N 2 2 373.501 0.750 50 0 FCAALP NC(=O)CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071422137 221347777 /nfs/dbraw/zinc/34/77/77/221347777.db2.gz MOHHRTCEVOJBRW-QGZVFWFLSA-N 2 2 373.501 0.750 50 0 FCAALP C[N@@H+]1CCc2n[nH]c(C(=O)N3CC[C@@H]([NH+]4CCCCCC4)[C@H](O)C3)c2C1 ZINC000071749658 221360541 /nfs/dbraw/zinc/36/05/41/221360541.db2.gz HCTRBJWTJHNAND-IAGOWNOFSA-N 2 2 361.490 0.849 50 0 FCAALP C[N@H+]1CCc2n[nH]c(C(=O)N3CC[C@@H]([NH+]4CCCCCC4)[C@H](O)C3)c2C1 ZINC000071749658 221360543 /nfs/dbraw/zinc/36/05/43/221360543.db2.gz HCTRBJWTJHNAND-IAGOWNOFSA-N 2 2 361.490 0.849 50 0 FCAALP O=S1(=O)C[C@@H]2[NH2+]CCN(c3cc[nH+]c(N4CCCCCCC4)n3)[C@@H]2C1 ZINC000077438076 132185484 /nfs/dbraw/zinc/18/54/84/132185484.db2.gz BQZWNGYMDIHUSM-LSDHHAIUSA-N 2 2 365.503 0.822 50 0 FCAALP COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCN(Cc3[nH+]ccn3C)CC2)n1 ZINC000244816821 132291418 /nfs/dbraw/zinc/29/14/18/132291418.db2.gz SPDVPOJYJAHROE-GASCZTMLSA-N 2 2 371.489 0.883 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000072422066 136146036 /nfs/dbraw/zinc/14/60/36/136146036.db2.gz IZXJRNLCTLVXNI-ZDUSSCGKSA-N 2 2 372.477 0.528 50 0 FCAALP CC(C)[NH+]1CCN(c2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000072432442 136147040 /nfs/dbraw/zinc/14/70/40/136147040.db2.gz SSBMWMLWHCCCEI-AWEZNQCLSA-N 2 2 367.519 0.878 50 0 FCAALP Cc1nn(C)cc1C[NH+]1CCC(c2nnc(C[N@H+](C)CCO)n2C)CC1 ZINC000096142042 222046058 /nfs/dbraw/zinc/04/60/58/222046058.db2.gz GFLDVSJHXIPONK-UHFFFAOYSA-N 2 2 361.494 0.661 50 0 FCAALP Cc1nn(C)cc1C[NH+]1CCC(c2nnc(C[N@@H+](C)CCO)n2C)CC1 ZINC000096142042 222046062 /nfs/dbraw/zinc/04/60/62/222046062.db2.gz GFLDVSJHXIPONK-UHFFFAOYSA-N 2 2 361.494 0.661 50 0 FCAALP C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC[NH+](Cc2ccccc2F)CC1 ZINC000012314841 487550689 /nfs/dbraw/zinc/55/06/89/487550689.db2.gz FLWRRFPFLLMIHJ-QGZVFWFLSA-N 2 2 362.449 0.680 50 0 FCAALP C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC[NH+](Cc2ccccc2F)CC1 ZINC000012314841 487550691 /nfs/dbraw/zinc/55/06/91/487550691.db2.gz FLWRRFPFLLMIHJ-QGZVFWFLSA-N 2 2 362.449 0.680 50 0 FCAALP C[NH+]1CCNC(=O)[C@H]1CC(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000012314841 487550694 /nfs/dbraw/zinc/55/06/94/487550694.db2.gz FLWRRFPFLLMIHJ-QGZVFWFLSA-N 2 2 362.449 0.680 50 0 FCAALP C[NH+]1CCNC(=O)[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000012314841 487550696 /nfs/dbraw/zinc/55/06/96/487550696.db2.gz FLWRRFPFLLMIHJ-QGZVFWFLSA-N 2 2 362.449 0.680 50 0 FCAALP C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC[NH+](Cc2ccccc2F)CC1 ZINC000012314840 487550892 /nfs/dbraw/zinc/55/08/92/487550892.db2.gz FLWRRFPFLLMIHJ-KRWDZBQOSA-N 2 2 362.449 0.680 50 0 FCAALP C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC[NH+](Cc2ccccc2F)CC1 ZINC000012314840 487550894 /nfs/dbraw/zinc/55/08/94/487550894.db2.gz FLWRRFPFLLMIHJ-KRWDZBQOSA-N 2 2 362.449 0.680 50 0 FCAALP C[NH+]1CCNC(=O)[C@@H]1CC(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000012314840 487550895 /nfs/dbraw/zinc/55/08/95/487550895.db2.gz FLWRRFPFLLMIHJ-KRWDZBQOSA-N 2 2 362.449 0.680 50 0 FCAALP C[NH+]1CCNC(=O)[C@@H]1CC(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000012314840 487550897 /nfs/dbraw/zinc/55/08/97/487550897.db2.gz FLWRRFPFLLMIHJ-KRWDZBQOSA-N 2 2 362.449 0.680 50 0 FCAALP C[NH+](C)Cc1nc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CCCC2)cs1 ZINC000072169850 488379374 /nfs/dbraw/zinc/37/93/74/488379374.db2.gz TZEIUNMGSKAHCG-ZDUSSCGKSA-N 2 2 351.476 0.241 50 0 FCAALP CS(=O)(=O)c1cnc(NCCc2c[nH]c[nH+]2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072407751 488380062 /nfs/dbraw/zinc/38/00/62/488380062.db2.gz RUWZRHIXMHWTBO-LLVKDONJSA-N 2 2 350.448 0.725 50 0 FCAALP CS(=O)(=O)c1cnc(NCCc2c[nH+]c[nH]2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072407751 488380063 /nfs/dbraw/zinc/38/00/63/488380063.db2.gz RUWZRHIXMHWTBO-LLVKDONJSA-N 2 2 350.448 0.725 50 0 FCAALP Cc1cnn(CCC(=O)N2C[C@H](O)[C@@H]([N@H+](C)CCn3cc[nH+]c3C)C2)c1 ZINC000072423222 488380317 /nfs/dbraw/zinc/38/03/17/488380317.db2.gz OMZWVEYAWWMSAY-IRXDYDNUSA-N 2 2 360.462 0.290 50 0 FCAALP Cc1cnn(CCC(=O)N2C[C@H](O)[C@@H]([N@@H+](C)CCn3cc[nH+]c3C)C2)c1 ZINC000072423222 488380318 /nfs/dbraw/zinc/38/03/18/488380318.db2.gz OMZWVEYAWWMSAY-IRXDYDNUSA-N 2 2 360.462 0.290 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CCC[NH+](C)C)C1 ZINC000072429090 488380714 /nfs/dbraw/zinc/38/07/14/488380714.db2.gz ZZBSQLZQATWBHJ-MRXNPFEDSA-N 3 2 364.538 0.903 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CCC[NH+](C)C)C1 ZINC000072429090 488380715 /nfs/dbraw/zinc/38/07/15/488380715.db2.gz ZZBSQLZQATWBHJ-MRXNPFEDSA-N 3 2 364.538 0.903 50 0 FCAALP C[N@@H+]1CCCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000072435601 488380898 /nfs/dbraw/zinc/38/08/98/488380898.db2.gz PLTFBSIYBBLOTO-CYBMUJFWSA-N 2 2 353.492 0.489 50 0 FCAALP C[N@H+]1CCCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000072435601 488380899 /nfs/dbraw/zinc/38/08/99/488380899.db2.gz PLTFBSIYBBLOTO-CYBMUJFWSA-N 2 2 353.492 0.489 50 0 FCAALP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1nc(-c3cccnc3)n[nH]1)CC[NH2+]CC2 ZINC000072462509 488381452 /nfs/dbraw/zinc/38/14/52/488381452.db2.gz NYPYBSQCISSBJO-OAHLLOKOSA-N 2 2 369.473 0.599 50 0 FCAALP C[N@H+]1CC2(C[C@@H]1C(=O)NCCc1nc(-c3cccnc3)n[nH]1)CC[NH2+]CC2 ZINC000072462509 488381453 /nfs/dbraw/zinc/38/14/53/488381453.db2.gz NYPYBSQCISSBJO-OAHLLOKOSA-N 2 2 369.473 0.599 50 0 FCAALP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1n[nH]c(-c3cccnc3)n1)CC[NH2+]CC2 ZINC000072462509 488381454 /nfs/dbraw/zinc/38/14/54/488381454.db2.gz NYPYBSQCISSBJO-OAHLLOKOSA-N 2 2 369.473 0.599 50 0 FCAALP C[N@H+]1CC2(C[C@@H]1C(=O)NCCc1n[nH]c(-c3cccnc3)n1)CC[NH2+]CC2 ZINC000072462509 488381455 /nfs/dbraw/zinc/38/14/55/488381455.db2.gz NYPYBSQCISSBJO-OAHLLOKOSA-N 2 2 369.473 0.599 50 0 FCAALP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077380282 488412279 /nfs/dbraw/zinc/41/22/79/488412279.db2.gz CLOSOAYOJDVQOT-IBGZPJMESA-N 2 2 374.441 0.824 50 0 FCAALP Cn1c(C[NH+]2CCC(c3nnc(CO)n3C)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000219706682 488444195 /nfs/dbraw/zinc/44/41/95/488444195.db2.gz CTVNFXIPSZWHKO-BETUJISGSA-N 2 2 360.466 0.020 50 0 FCAALP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000091656960 488467175 /nfs/dbraw/zinc/46/71/75/488467175.db2.gz NYVVDQRGBBIFCM-UHFFFAOYSA-N 3 2 361.538 0.494 50 0 FCAALP Cn1nc(C(=O)N2CCC(c3[nH+]ccn3CC[NH+](C)C)CC2)ccc1=O ZINC000091745675 488468879 /nfs/dbraw/zinc/46/88/79/488468879.db2.gz NVYPLFLGUNEBKK-UHFFFAOYSA-N 2 2 358.446 0.558 50 0 FCAALP CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C[N@@H+]1Cc1ccc(C)o1 ZINC000091997952 488472760 /nfs/dbraw/zinc/47/27/60/488472760.db2.gz HCFMODHHRBAZFD-WBVHZDCISA-N 2 2 373.457 0.988 50 0 FCAALP CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C[N@H+]1Cc1ccc(C)o1 ZINC000091997952 488472762 /nfs/dbraw/zinc/47/27/62/488472762.db2.gz HCFMODHHRBAZFD-WBVHZDCISA-N 2 2 373.457 0.988 50 0 FCAALP O=C(c1cccc([C@H]2CCC[NH2+]C2)c1)N1CC[NH+](CCOCCO)CC1 ZINC000095352493 488480591 /nfs/dbraw/zinc/48/05/91/488480591.db2.gz YUCZQCQPPNCOJW-IBGZPJMESA-N 2 2 361.486 0.920 50 0 FCAALP OC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C[NH+]1CCC(O)CC1 ZINC000095368040 488481794 /nfs/dbraw/zinc/48/17/94/488481794.db2.gz IBXRIKXRNSRAEO-IAGOWNOFSA-N 2 2 372.473 0.364 50 0 FCAALP OC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C[NH+]1CCC(O)CC1 ZINC000095368040 488481797 /nfs/dbraw/zinc/48/17/97/488481797.db2.gz IBXRIKXRNSRAEO-IAGOWNOFSA-N 2 2 372.473 0.364 50 0 FCAALP CN(C)C(=O)NCC(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095504448 488485294 /nfs/dbraw/zinc/48/52/94/488485294.db2.gz RILDKTPSCPMFFO-HNNXBMFYSA-N 2 2 364.494 0.812 50 0 FCAALP CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1Cc1ccc(C)o1 ZINC000095521843 488486331 /nfs/dbraw/zinc/48/63/31/488486331.db2.gz QMXYTHIUEVKGCG-ZBFHGGJFSA-N 2 2 359.430 0.680 50 0 FCAALP CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1Cc1ccc(C)o1 ZINC000095521843 488486334 /nfs/dbraw/zinc/48/63/34/488486334.db2.gz QMXYTHIUEVKGCG-ZBFHGGJFSA-N 2 2 359.430 0.680 50 0 FCAALP CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3OCC[NH+]3CCOCC3)C[C@H]2C1=O ZINC000216522701 523725985 /nfs/dbraw/zinc/72/59/85/523725985.db2.gz DYWSUCZMVLTGCJ-CALCHBBNSA-N 2 2 373.453 0.444 50 0 FCAALP CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3OCC[NH+]3CCOCC3)C[C@H]2C1=O ZINC000216522701 523725992 /nfs/dbraw/zinc/72/59/92/523725992.db2.gz DYWSUCZMVLTGCJ-CALCHBBNSA-N 2 2 373.453 0.444 50 0 FCAALP COc1cc2[nH+]c(N3C[C@H]4C[NH2+]C[C@]4(C[NH+](C)C)C3)nc(N)c2cc1OC ZINC001772709875 1181699591 /nfs/dbraw/zinc/69/95/91/1181699591.db2.gz NZPGNXLVYZHWLB-BLVKFPJESA-N 3 2 372.473 0.817 50 0 FCAALP Cc1nnc([C@H]2CC[N@@H+](Cc3cccn3C)C[C@H]2NC(=O)C[NH+](C)C)[nH]1 ZINC000169786496 1196782700 /nfs/dbraw/zinc/78/27/00/1196782700.db2.gz WKQDHVBLRNFLIY-JKSUJKDBSA-N 2 2 359.478 0.488 50 0 FCAALP Cc1nnc([C@H]2CC[N@H+](Cc3cccn3C)C[C@H]2NC(=O)C[NH+](C)C)[nH]1 ZINC000169786496 1196782709 /nfs/dbraw/zinc/78/27/09/1196782709.db2.gz WKQDHVBLRNFLIY-JKSUJKDBSA-N 2 2 359.478 0.488 50 0 FCAALP CCC[NH+]1CCC2(CC1)CN(C(=O)C[C@H]1C(=O)NCC[N@H+]1CC)CCO2 ZINC000822921179 1245319252 /nfs/dbraw/zinc/31/92/52/1245319252.db2.gz OAUDLCXEEGQGBP-INIZCTEOSA-N 2 2 366.506 0.300 50 0 FCAALP CCC[NH+]1CCC2(CC1)CN(C(=O)C[C@H]1C(=O)NCC[N@@H+]1CC)CCO2 ZINC000822921179 1245319254 /nfs/dbraw/zinc/31/92/54/1245319254.db2.gz OAUDLCXEEGQGBP-INIZCTEOSA-N 2 2 366.506 0.300 50 0 FCAALP C[N@H+](CC(=O)N1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)Cc1ccncc1 ZINC001704300472 1286218538 /nfs/dbraw/zinc/21/85/38/1286218538.db2.gz WCCIIDAAIUOUOM-SFHVURJKSA-N 2 2 373.501 0.669 50 0 FCAALP C[N@@H+](CC(=O)N1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)Cc1ccncc1 ZINC001704300472 1286218543 /nfs/dbraw/zinc/21/85/43/1286218543.db2.gz WCCIIDAAIUOUOM-SFHVURJKSA-N 2 2 373.501 0.669 50 0 FCAALP C[NH+](CC(=O)N1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)Cc1ccncc1 ZINC001704300472 1286218550 /nfs/dbraw/zinc/21/85/50/1286218550.db2.gz WCCIIDAAIUOUOM-SFHVURJKSA-N 2 2 373.501 0.669 50 0 FCAALP C[NH+](CC(=O)N1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)Cc1ccncc1 ZINC001704300472 1286218556 /nfs/dbraw/zinc/21/85/56/1286218556.db2.gz WCCIIDAAIUOUOM-SFHVURJKSA-N 2 2 373.501 0.669 50 0 FCAALP O=C1NCCN2CC[N@H+](Cc3cccc(OCCCn4cc[nH+]c4)c3)C[C@H]12 ZINC001704347839 1286231292 /nfs/dbraw/zinc/23/12/92/1286231292.db2.gz POMKXGQFECTBKC-LJQANCHMSA-N 2 2 369.469 0.968 50 0 FCAALP O=C1NCCN2CC[N@@H+](Cc3cccc(OCCCn4cc[nH+]c4)c3)C[C@H]12 ZINC001704347839 1286231301 /nfs/dbraw/zinc/23/13/01/1286231301.db2.gz POMKXGQFECTBKC-LJQANCHMSA-N 2 2 369.469 0.968 50 0 FCAALP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC000095971695 132216467 /nfs/dbraw/zinc/21/64/67/132216467.db2.gz JHDHNAPHDPCPQP-OAHLLOKOSA-N 2 2 357.462 0.920 50 0 FCAALP O[C@H]1COC[C@@H]1[N@@H+]1CCCN(CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000252484872 132292547 /nfs/dbraw/zinc/29/25/47/132292547.db2.gz GJUWOBJPYPJDSC-SFTDATJTSA-N 2 2 374.529 0.576 50 0 FCAALP O[C@H]1COC[C@@H]1[N@H+]1CCCN(CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000252484872 132292549 /nfs/dbraw/zinc/29/25/49/132292549.db2.gz GJUWOBJPYPJDSC-SFTDATJTSA-N 2 2 374.529 0.576 50 0 FCAALP Cc1c[nH+]c(N2C[C@H](O)[C@@H]([NH+]3CCN(c4ccccn4)CC3)C2)nc1N ZINC000072150963 136142883 /nfs/dbraw/zinc/14/28/83/136142883.db2.gz RBCJNLCVHYCETR-GJZGRUSLSA-N 2 2 355.446 0.134 50 0 FCAALP c1nc2ncnc(N3CC[NH+](Cc4cc5n(n4)CCC[NH2+]C5)CC3)c2[nH]1 ZINC000072173878 136143662 /nfs/dbraw/zinc/14/36/62/136143662.db2.gz HLIFQVXUGQVSEC-UHFFFAOYSA-N 2 2 353.434 0.365 50 0 FCAALP Cn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000102423226 222296469 /nfs/dbraw/zinc/29/64/69/222296469.db2.gz QXFYQZNKTHQFLL-QLPKVWCKSA-N 2 2 358.490 0.582 50 0 FCAALP O[C@@H](CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)C[NH+]1CCOCC1 ZINC000025539666 487668070 /nfs/dbraw/zinc/66/80/70/487668070.db2.gz IYGSAZXXCJDWPZ-KRWDZBQOSA-N 2 2 363.458 0.226 50 0 FCAALP Cc1c(C[N@@H+]2CCO[C@@]3(C2)C[NH2+]CCOC3)c2ccccc2n1CC(N)=O ZINC000072150404 488378223 /nfs/dbraw/zinc/37/82/23/488378223.db2.gz IJDSTEANRSVHQA-HXUWFJFHSA-N 2 2 372.469 0.626 50 0 FCAALP Cc1c(C[N@H+]2CCO[C@@]3(C2)C[NH2+]CCOC3)c2ccccc2n1CC(N)=O ZINC000072150404 488378224 /nfs/dbraw/zinc/37/82/24/488378224.db2.gz IJDSTEANRSVHQA-HXUWFJFHSA-N 2 2 372.469 0.626 50 0 FCAALP C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)C[C@H](C)O1 ZINC000072150086 488378373 /nfs/dbraw/zinc/37/83/73/488378373.db2.gz NMSGFJNVIZUXCF-ITKAJJHTSA-N 2 2 373.497 0.949 50 0 FCAALP C[C@@H]1C[N@H+](CC(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)C[C@H](C)O1 ZINC000072150086 488378374 /nfs/dbraw/zinc/37/83/74/488378374.db2.gz NMSGFJNVIZUXCF-ITKAJJHTSA-N 2 2 373.497 0.949 50 0 FCAALP C[N@@H+]1CCCN(C(=O)C[C@@H]2COCC[NH+]2Cc2cccc3nonc32)CC1 ZINC000072430046 488380868 /nfs/dbraw/zinc/38/08/68/488380868.db2.gz CNJISFUMOOIMHY-MRXNPFEDSA-N 2 2 373.457 0.978 50 0 FCAALP C[N@H+]1CCCN(C(=O)C[C@@H]2COCC[NH+]2Cc2cccc3nonc32)CC1 ZINC000072430046 488380869 /nfs/dbraw/zinc/38/08/69/488380869.db2.gz CNJISFUMOOIMHY-MRXNPFEDSA-N 2 2 373.457 0.978 50 0 FCAALP C[NH+]1CCCN(C(=O)C[C@@H]2COCC[N@@H+]2Cc2cccc3nonc32)CC1 ZINC000072430046 488380870 /nfs/dbraw/zinc/38/08/70/488380870.db2.gz CNJISFUMOOIMHY-MRXNPFEDSA-N 2 2 373.457 0.978 50 0 FCAALP C[NH+]1CCCN(C(=O)C[C@@H]2COCC[N@H+]2Cc2cccc3nonc32)CC1 ZINC000072430046 488380871 /nfs/dbraw/zinc/38/08/71/488380871.db2.gz CNJISFUMOOIMHY-MRXNPFEDSA-N 2 2 373.457 0.978 50 0 FCAALP C[N@@H+]1CC2(C[C@H]1C(=O)NCCc1nc(-c3cccnc3)n[nH]1)CC[NH2+]CC2 ZINC000072462510 488381434 /nfs/dbraw/zinc/38/14/34/488381434.db2.gz NYPYBSQCISSBJO-HNNXBMFYSA-N 2 2 369.473 0.599 50 0 FCAALP C[N@H+]1CC2(C[C@H]1C(=O)NCCc1nc(-c3cccnc3)n[nH]1)CC[NH2+]CC2 ZINC000072462510 488381435 /nfs/dbraw/zinc/38/14/35/488381435.db2.gz NYPYBSQCISSBJO-HNNXBMFYSA-N 2 2 369.473 0.599 50 0 FCAALP C[N@@H+]1CC2(C[C@H]1C(=O)NCCc1n[nH]c(-c3cccnc3)n1)CC[NH2+]CC2 ZINC000072462510 488381436 /nfs/dbraw/zinc/38/14/36/488381436.db2.gz NYPYBSQCISSBJO-HNNXBMFYSA-N 2 2 369.473 0.599 50 0 FCAALP C[N@H+]1CC2(C[C@H]1C(=O)NCCc1n[nH]c(-c3cccnc3)n1)CC[NH2+]CC2 ZINC000072462510 488381437 /nfs/dbraw/zinc/38/14/37/488381437.db2.gz NYPYBSQCISSBJO-HNNXBMFYSA-N 2 2 369.473 0.599 50 0 FCAALP CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000076046901 488401559 /nfs/dbraw/zinc/40/15/59/488401559.db2.gz SFVDBXYLCZYOHA-OAHLLOKOSA-N 2 2 369.506 0.877 50 0 FCAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000077377821 488411705 /nfs/dbraw/zinc/41/17/05/488411705.db2.gz ACMSILYHQOFVFW-UHFFFAOYSA-N 2 2 364.494 0.039 50 0 FCAALP Cn1c(C[N@H+](C)CCO)nnc1C1CC[NH+](Cc2cccnc2N)CC1 ZINC000077421050 488413200 /nfs/dbraw/zinc/41/32/00/488413200.db2.gz SQIKTAFJTXIHOT-UHFFFAOYSA-N 2 2 359.478 0.596 50 0 FCAALP Cn1c(C[N@@H+](C)CCO)nnc1C1CC[NH+](Cc2cccnc2N)CC1 ZINC000077421050 488413201 /nfs/dbraw/zinc/41/32/01/488413201.db2.gz SQIKTAFJTXIHOT-UHFFFAOYSA-N 2 2 359.478 0.596 50 0 FCAALP Cn1c(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223953346 488449505 /nfs/dbraw/zinc/44/95/05/488449505.db2.gz IYRNAXVLNJVECB-SHTZXODSSA-N 2 2 362.478 0.091 50 0 FCAALP C[C@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1Cc1ccccc1 ZINC000237560591 488456220 /nfs/dbraw/zinc/45/62/20/488456220.db2.gz KRGRLKKHONVDAB-FUHWJXTLSA-N 2 2 358.486 0.930 50 0 FCAALP OC[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C[C@H]1CN1CCOCC1 ZINC000091807624 488470169 /nfs/dbraw/zinc/47/01/69/488470169.db2.gz IYAIQFXTYKEHIQ-RTBURBONSA-N 2 2 374.529 0.919 50 0 FCAALP OC[C@H]1C[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C[C@H]1CN1CCOCC1 ZINC000091807624 488470170 /nfs/dbraw/zinc/47/01/70/488470170.db2.gz IYAIQFXTYKEHIQ-RTBURBONSA-N 2 2 374.529 0.919 50 0 FCAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)CN2CCOCC2)CC1 ZINC000095352111 488480688 /nfs/dbraw/zinc/48/06/88/488480688.db2.gz WZKCGHROUCRYLG-UHFFFAOYSA-N 2 2 363.506 0.873 50 0 FCAALP NC(=O)Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000095511502 488485725 /nfs/dbraw/zinc/48/57/25/488485725.db2.gz NSGFOKLRKKYEJO-MRXNPFEDSA-N 2 2 355.442 0.864 50 0 FCAALP NC(=O)Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000095511502 488485728 /nfs/dbraw/zinc/48/57/28/488485728.db2.gz NSGFOKLRKKYEJO-MRXNPFEDSA-N 2 2 355.442 0.864 50 0 FCAALP OCCNc1nc(NCCc2[nH]c3ccccc3[nH+]2)cc([C@H]2CCOC2)[nH+]1 ZINC000426368149 489564248 /nfs/dbraw/zinc/56/42/48/489564248.db2.gz ARRPVZRIDUMMIS-ZDUSSCGKSA-N 2 2 368.441 0.759 50 0 FCAALP COc1cc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)ccc1OCC[NH3+] ZINC000426387783 489565018 /nfs/dbraw/zinc/56/50/18/489565018.db2.gz BIHBFTNLVASXEO-UHFFFAOYSA-N 2 2 373.457 0.724 50 0 FCAALP Cn1cc[nH+]c1CN(c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1)C1CC1 ZINC000426715918 489580924 /nfs/dbraw/zinc/58/09/24/489580924.db2.gz MEVWKVQMVHYNDN-CYBMUJFWSA-N 2 2 358.446 1.287 50 0 FCAALP C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000252586081 525059851 /nfs/dbraw/zinc/05/98/51/525059851.db2.gz NIZVIDDHXVZTRJ-KZNAEPCWSA-N 2 2 374.533 0.873 50 0 FCAALP C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000252586081 525059864 /nfs/dbraw/zinc/05/98/64/525059864.db2.gz NIZVIDDHXVZTRJ-KZNAEPCWSA-N 2 2 374.533 0.873 50 0 FCAALP O=C(C[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000091593926 526784633 /nfs/dbraw/zinc/78/46/33/526784633.db2.gz ATENPXNJXTYVIA-KRWDZBQOSA-N 2 2 369.473 0.734 50 0 FCAALP O=C1C[C@]2(CC[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)C(=O)N1 ZINC000082126641 527034763 /nfs/dbraw/zinc/03/47/63/527034763.db2.gz HIIBDGLJOBGJSQ-FQEVSTJZSA-N 2 2 373.453 0.636 50 0 FCAALP O=C1C[C@]2(CC[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)C(=O)N1 ZINC000082126641 527034767 /nfs/dbraw/zinc/03/47/67/527034767.db2.gz HIIBDGLJOBGJSQ-FQEVSTJZSA-N 2 2 373.453 0.636 50 0 FCAALP