smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)C(C)C ZINC000160934392 509050684 /nfs/dbraw/zinc/05/06/84/509050684.db2.gz DYUIXKASHVUOCU-AZUAARDMSA-N 1 2 362.514 2.643 10 70 FFIELO CCc1noc([C@@H](C)N2CC[NH+](CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000159383283 508834283 /nfs/dbraw/zinc/83/42/83/508834283.db2.gz GFJWYNPMUHAWRE-MRXNPFEDSA-N 1 2 356.470 2.892 10 70 FFIELO CC(C)COc1ccc([C@@H](C)NC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000160312940 508969246 /nfs/dbraw/zinc/96/92/46/508969246.db2.gz QNGJPCIPOXTWCX-IAGOWNOFSA-N 1 2 363.502 2.802 10 70 FFIELO CCn1cc(C2CC[NH+]([C@H](C)c3nnnn3-c3ccccc3)CC2)cn1 ZINC000160470716 508991350 /nfs/dbraw/zinc/99/13/50/508991350.db2.gz RHNYBMIIJUGIDD-OAHLLOKOSA-N 1 2 351.458 2.819 10 70 FFIELO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1nc(COc3ccc(F)cc3)no1)CC2 ZINC000160857192 509040521 /nfs/dbraw/zinc/04/05/21/509040521.db2.gz FQQCALAVTFDQOR-AUUYWEPGSA-N 1 2 361.417 2.915 10 70 FFIELO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1nc(COc3ccc(F)cc3)no1)CC2 ZINC000160857192 509040525 /nfs/dbraw/zinc/04/05/25/509040525.db2.gz FQQCALAVTFDQOR-AUUYWEPGSA-N 1 2 361.417 2.915 10 70 FFIELO C[C@H](CC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000160831802 509038034 /nfs/dbraw/zinc/03/80/34/509038034.db2.gz OGKJJWSAIFUKIE-KGLIPLIRSA-N 1 2 369.303 2.780 10 70 FFIELO C[C@@H](CNC(=O)N1CCc2c(Cl)cc(Cl)cc2C1)[NH+]1CCOCC1 ZINC000159900557 508908470 /nfs/dbraw/zinc/90/84/70/508908470.db2.gz OKEININGEAOQPQ-LBPRGKRZSA-N 1 2 372.296 2.782 10 70 FFIELO Cc1cc(NC(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)n(-c2ccccc2F)n1 ZINC000159625756 508867951 /nfs/dbraw/zinc/86/79/51/508867951.db2.gz KAHJIEUCEWOEAO-ZWKOTPCHSA-N 1 2 372.444 2.902 10 70 FFIELO Cc1cc(NC(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)n(-c2ccccc2F)n1 ZINC000159625756 508867954 /nfs/dbraw/zinc/86/79/54/508867954.db2.gz KAHJIEUCEWOEAO-ZWKOTPCHSA-N 1 2 372.444 2.902 10 70 FFIELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)c2c1 ZINC000160609811 509009705 /nfs/dbraw/zinc/00/97/05/509009705.db2.gz FDTAHWOAYOYXLU-HKUYNNGSSA-N 1 2 356.422 2.781 10 70 FFIELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCO[C@H]4CCCC[C@@H]43)c2c1 ZINC000160609811 509009708 /nfs/dbraw/zinc/00/97/08/509009708.db2.gz FDTAHWOAYOYXLU-HKUYNNGSSA-N 1 2 356.422 2.781 10 70 FFIELO CN(CC1CC1)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161013050 509060246 /nfs/dbraw/zinc/06/02/46/509060246.db2.gz HCDCDWXKFYDYES-HZPDHXFCSA-N 1 2 356.388 2.682 10 70 FFIELO CN(CC1CC1)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161013050 509060249 /nfs/dbraw/zinc/06/02/49/509060249.db2.gz HCDCDWXKFYDYES-HZPDHXFCSA-N 1 2 356.388 2.682 10 70 FFIELO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NCC1CCC1 ZINC000161143271 509076808 /nfs/dbraw/zinc/07/68/08/509076808.db2.gz GZCPDEXIVQVELL-CVEARBPZSA-N 1 2 356.388 2.729 10 70 FFIELO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NCC1CCC1 ZINC000161143271 509076812 /nfs/dbraw/zinc/07/68/12/509076812.db2.gz GZCPDEXIVQVELL-CVEARBPZSA-N 1 2 356.388 2.729 10 70 FFIELO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000159544668 508856108 /nfs/dbraw/zinc/85/61/08/508856108.db2.gz CSSDHTSSQGOPMP-FXAWDEMLSA-N 1 2 358.486 2.518 10 70 FFIELO CN(c1cccnn1)C1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000160834404 509038060 /nfs/dbraw/zinc/03/80/60/509038060.db2.gz ZRUFPKVBCINTIT-UHFFFAOYSA-N 1 2 356.455 2.689 10 70 FFIELO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000160861700 509040996 /nfs/dbraw/zinc/04/09/96/509040996.db2.gz RBGTXMNKATYKID-GUDVDZBRSA-N 1 2 354.454 2.977 10 70 FFIELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000161126391 509075019 /nfs/dbraw/zinc/07/50/19/509075019.db2.gz KSXFTGSKPNBUQK-GDBMZVCRSA-N 1 2 368.355 2.723 10 70 FFIELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000161126391 509075022 /nfs/dbraw/zinc/07/50/22/509075022.db2.gz KSXFTGSKPNBUQK-GDBMZVCRSA-N 1 2 368.355 2.723 10 70 FFIELO C[C@H](CNC(=O)N1CCc2c(Cl)cc(Cl)cc2C1)[NH+]1CCOCC1 ZINC000159900688 508908450 /nfs/dbraw/zinc/90/84/50/508908450.db2.gz OKEININGEAOQPQ-GFCCVEGCSA-N 1 2 372.296 2.782 10 70 FFIELO C[C@H](CC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000160831545 509037531 /nfs/dbraw/zinc/03/75/31/509037531.db2.gz OGKJJWSAIFUKIE-ZIAGYGMSSA-N 1 2 369.303 2.780 10 70 FFIELO CCOc1ccnc(N2CC[NH+](CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000159414500 508839374 /nfs/dbraw/zinc/83/93/74/508839374.db2.gz LEZKCBYCNFOBGC-UHFFFAOYSA-N 1 2 354.454 2.579 10 70 FFIELO Cc1nc(-c2cccs2)ccc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160455209 508988926 /nfs/dbraw/zinc/98/89/26/508988926.db2.gz WHHTWPZTGPHYDH-OAHLLOKOSA-N 1 2 357.479 2.712 10 70 FFIELO Cc1nc(-c2cccs2)ccc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160455209 508988930 /nfs/dbraw/zinc/98/89/30/508988930.db2.gz WHHTWPZTGPHYDH-OAHLLOKOSA-N 1 2 357.479 2.712 10 70 FFIELO Cc1c(NC(=O)NC[C@H](C)[NH+]2CCOCC2)cnn1-c1cc(C)ccc1C ZINC000160691505 509021192 /nfs/dbraw/zinc/02/11/92/509021192.db2.gz YMJZAMZZEINVJN-INIZCTEOSA-N 1 2 371.485 2.640 10 70 FFIELO CCC[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000160230443 508957589 /nfs/dbraw/zinc/95/75/89/508957589.db2.gz MXUNUTHKSJRZOE-CXAGYDPISA-N 1 2 355.429 2.826 10 70 FFIELO Cc1c(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cnn1-c1cc(C)ccc1C ZINC000160691372 509021275 /nfs/dbraw/zinc/02/12/75/509021275.db2.gz YMJZAMZZEINVJN-MRXNPFEDSA-N 1 2 371.485 2.640 10 70 FFIELO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1c(C)nn(C)c1OC ZINC000160896826 509044772 /nfs/dbraw/zinc/04/47/72/509044772.db2.gz ORZWFFKABNUUFJ-UHFFFAOYSA-N 1 2 360.458 2.596 10 70 FFIELO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1c(C)nn(C)c1OC ZINC000160896826 509044775 /nfs/dbraw/zinc/04/47/75/509044775.db2.gz ORZWFFKABNUUFJ-UHFFFAOYSA-N 1 2 360.458 2.596 10 70 FFIELO Cn1cc(C2CC[NH+](CC(=O)Nc3nc4c(s3)CCCC4)CC2)cn1 ZINC000160452862 508989231 /nfs/dbraw/zinc/98/92/31/508989231.db2.gz HBGTYYAMXXRPQS-UHFFFAOYSA-N 1 2 359.499 2.574 10 70 FFIELO O=C(NCCOCc1ccc(Cl)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000160559322 509002588 /nfs/dbraw/zinc/00/25/88/509002588.db2.gz OTMBNFKFSBORLK-QGZVFWFLSA-N 1 2 362.861 2.927 10 70 FFIELO C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000159550495 508856976 /nfs/dbraw/zinc/85/69/76/508856976.db2.gz YHFWUFDVBSUOHK-FXAWDEMLSA-N 1 2 364.493 2.958 10 70 FFIELO C[C@H](CNC(=O)C[C@H](C)c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000160831430 509037591 /nfs/dbraw/zinc/03/75/91/509037591.db2.gz OGKJJWSAIFUKIE-UONOGXRCSA-N 1 2 369.303 2.780 10 70 FFIELO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000161210417 509086326 /nfs/dbraw/zinc/08/63/26/509086326.db2.gz MASTWLBHXLKGIQ-CVEARBPZSA-N 1 2 356.388 2.872 10 70 FFIELO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000161210417 509086332 /nfs/dbraw/zinc/08/63/32/509086332.db2.gz MASTWLBHXLKGIQ-CVEARBPZSA-N 1 2 356.388 2.872 10 70 FFIELO CCC[C@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000160230319 508957604 /nfs/dbraw/zinc/95/76/04/508957604.db2.gz MXUNUTHKSJRZOE-DYVFJYSZSA-N 1 2 355.429 2.826 10 70 FFIELO CC(C)COc1ccc([C@H](C)NC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000160312809 508969586 /nfs/dbraw/zinc/96/95/86/508969586.db2.gz QNGJPCIPOXTWCX-IRXDYDNUSA-N 1 2 363.502 2.802 10 70 FFIELO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NCC1CCC1 ZINC000161143003 509077109 /nfs/dbraw/zinc/07/71/09/509077109.db2.gz GZCPDEXIVQVELL-HOTGVXAUSA-N 1 2 356.388 2.729 10 70 FFIELO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NCC1CCC1 ZINC000161143003 509077111 /nfs/dbraw/zinc/07/71/11/509077111.db2.gz GZCPDEXIVQVELL-HOTGVXAUSA-N 1 2 356.388 2.729 10 70 FFIELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159817704 508895437 /nfs/dbraw/zinc/89/54/37/508895437.db2.gz RDNBCAUOGUVINT-BBRMVZONSA-N 1 2 374.514 2.571 10 70 FFIELO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000159372472 508832562 /nfs/dbraw/zinc/83/25/62/508832562.db2.gz CGTUIKVWGJZGPT-YLJYHZDGSA-N 1 2 358.486 2.518 10 70 FFIELO CC(C)[C@@H](O)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000159690488 508875799 /nfs/dbraw/zinc/87/57/99/508875799.db2.gz TWXRWNKZOMRUNV-WBVHZDCISA-N 1 2 356.869 2.967 10 70 FFIELO CC(C)[C@@H](O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000159690488 508875803 /nfs/dbraw/zinc/87/58/03/508875803.db2.gz TWXRWNKZOMRUNV-WBVHZDCISA-N 1 2 356.869 2.967 10 70 FFIELO Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159818102 508895402 /nfs/dbraw/zinc/89/54/02/508895402.db2.gz RDNBCAUOGUVINT-CZUORRHYSA-N 1 2 374.514 2.571 10 70 FFIELO CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000160846716 509039347 /nfs/dbraw/zinc/03/93/47/509039347.db2.gz LDQQDCJJTUEWDK-GFCCVEGCSA-N 1 2 367.409 2.547 10 70 FFIELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161049722 509064718 /nfs/dbraw/zinc/06/47/18/509064718.db2.gz IOVWMFIBHINNED-NQIIRXRSSA-N 1 2 372.513 2.909 10 70 FFIELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc3c([nH]c1=O)CCCCC3)C2 ZINC000159983668 508921097 /nfs/dbraw/zinc/92/10/97/508921097.db2.gz WELJZYZRUWXPIQ-UHFFFAOYSA-N 1 2 368.481 2.699 10 70 FFIELO CC(C)[C@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000160228208 508957804 /nfs/dbraw/zinc/95/78/04/508957804.db2.gz LMQIBERQNLSIJU-DYVFJYSZSA-N 1 2 355.429 2.682 10 70 FFIELO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000161210187 509086732 /nfs/dbraw/zinc/08/67/32/509086732.db2.gz MASTWLBHXLKGIQ-HOTGVXAUSA-N 1 2 356.388 2.872 10 70 FFIELO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000161210187 509086735 /nfs/dbraw/zinc/08/67/35/509086735.db2.gz MASTWLBHXLKGIQ-HOTGVXAUSA-N 1 2 356.388 2.872 10 70 FFIELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3OC)o2)C1 ZINC000160192821 508952113 /nfs/dbraw/zinc/95/21/13/508952113.db2.gz FCRAPKVLYFYNFR-AWEZNQCLSA-N 1 2 358.442 2.626 10 70 FFIELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3OC)o2)C1 ZINC000160192821 508952116 /nfs/dbraw/zinc/95/21/16/508952116.db2.gz FCRAPKVLYFYNFR-AWEZNQCLSA-N 1 2 358.442 2.626 10 70 FFIELO CC(C)COc1ccc([C@@H](C)NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000160226048 508956690 /nfs/dbraw/zinc/95/66/90/508956690.db2.gz LBGJEOQMNRLWIA-IAGOWNOFSA-N 1 2 363.502 2.802 10 70 FFIELO CC(C)COc1ccc([C@@H](C)NC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000160226337 508956809 /nfs/dbraw/zinc/95/68/09/508956809.db2.gz LBGJEOQMNRLWIA-DLBZAZTESA-N 1 2 363.502 2.802 10 70 FFIELO CCC[C@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000160230577 508957711 /nfs/dbraw/zinc/95/77/11/508957711.db2.gz MXUNUTHKSJRZOE-GUYCJALGSA-N 1 2 355.429 2.826 10 70 FFIELO CC(C)COc1ccc([C@H](C)NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000160226184 508956948 /nfs/dbraw/zinc/95/69/48/508956948.db2.gz LBGJEOQMNRLWIA-SJORKVTESA-N 1 2 363.502 2.802 10 70 FFIELO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000159372876 508832486 /nfs/dbraw/zinc/83/24/86/508832486.db2.gz CGTUIKVWGJZGPT-PXNSSMCTSA-N 1 2 358.486 2.518 10 70 FFIELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC000160980013 509056587 /nfs/dbraw/zinc/05/65/87/509056587.db2.gz BRLCSVLDDHPSGT-HNNXBMFYSA-N 1 2 372.488 2.699 10 70 FFIELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)Cc2ccccc2F)CC1 ZINC000160980133 509056688 /nfs/dbraw/zinc/05/66/88/509056688.db2.gz BRLCSVLDDHPSGT-OAHLLOKOSA-N 1 2 372.488 2.699 10 70 FFIELO C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000159550068 508857452 /nfs/dbraw/zinc/85/74/52/508857452.db2.gz YHFWUFDVBSUOHK-XLIONFOSSA-N 1 2 364.493 2.958 10 70 FFIELO CC(C)n1nnnc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160741356 509027282 /nfs/dbraw/zinc/02/72/82/509027282.db2.gz XNJRWGBLNWXVFZ-YIONKMFJSA-N 1 2 364.494 2.616 10 70 FFIELO CC(C)n1nnnc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160741356 509027287 /nfs/dbraw/zinc/02/72/87/509027287.db2.gz XNJRWGBLNWXVFZ-YIONKMFJSA-N 1 2 364.494 2.616 10 70 FFIELO CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000160846592 509039358 /nfs/dbraw/zinc/03/93/58/509039358.db2.gz LDQQDCJJTUEWDK-LBPRGKRZSA-N 1 2 367.409 2.547 10 70 FFIELO CC(C)COc1ccc([C@H](C)NC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000160226471 508956955 /nfs/dbraw/zinc/95/69/55/508956955.db2.gz LBGJEOQMNRLWIA-IRXDYDNUSA-N 1 2 363.502 2.802 10 70 FFIELO CCn1cc(C2CC[NH+](Cc3nnnn3-c3c(C)cccc3C)CC2)cn1 ZINC000160467979 508991613 /nfs/dbraw/zinc/99/16/13/508991613.db2.gz HTBRATIBUXUWDO-UHFFFAOYSA-N 1 2 365.485 2.875 10 70 FFIELO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000160601554 509008306 /nfs/dbraw/zinc/00/83/06/509008306.db2.gz FGCMBYVQUZLSKG-SJLPKXTDSA-N 1 2 373.497 2.843 10 70 FFIELO CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161197721 509084105 /nfs/dbraw/zinc/08/41/05/509084105.db2.gz LWQUCCRBHWPJRC-LSDHHAIUSA-N 1 2 365.417 2.636 10 70 FFIELO CC(C)S(=O)(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161197721 509084107 /nfs/dbraw/zinc/08/41/07/509084107.db2.gz LWQUCCRBHWPJRC-LSDHHAIUSA-N 1 2 365.417 2.636 10 70 FFIELO Cc1nc(-c2cccs2)ccc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160455333 508988988 /nfs/dbraw/zinc/98/89/88/508988988.db2.gz WHHTWPZTGPHYDH-HNNXBMFYSA-N 1 2 357.479 2.712 10 70 FFIELO Cc1nc(-c2cccs2)ccc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160455333 508988991 /nfs/dbraw/zinc/98/89/91/508988991.db2.gz WHHTWPZTGPHYDH-HNNXBMFYSA-N 1 2 357.479 2.712 10 70 FFIELO C[C@H](CNC(=O)Nc1ccc(COC2CCCC2)cc1)[NH+]1CCOCC1 ZINC000160536032 509000540 /nfs/dbraw/zinc/00/05/40/509000540.db2.gz JLKZTSTYXKHWQQ-MRXNPFEDSA-N 1 2 361.486 2.988 10 70 FFIELO CC(C)[C@@H](O)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000159690791 508875618 /nfs/dbraw/zinc/87/56/18/508875618.db2.gz TWXRWNKZOMRUNV-RDJZCZTQSA-N 1 2 356.869 2.967 10 70 FFIELO CC(C)[C@@H](O)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000159690791 508875620 /nfs/dbraw/zinc/87/56/20/508875620.db2.gz TWXRWNKZOMRUNV-RDJZCZTQSA-N 1 2 356.869 2.967 10 70 FFIELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)c2c1 ZINC000160609947 509009838 /nfs/dbraw/zinc/00/98/38/509009838.db2.gz FDTAHWOAYOYXLU-PKOBYXMFSA-N 1 2 356.422 2.781 10 70 FFIELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)c2c1 ZINC000160609947 509009842 /nfs/dbraw/zinc/00/98/42/509009842.db2.gz FDTAHWOAYOYXLU-PKOBYXMFSA-N 1 2 356.422 2.781 10 70 FFIELO O=C(Nc1ccnn1Cc1ccccc1F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000160414758 508983533 /nfs/dbraw/zinc/98/35/33/508983533.db2.gz LBCXRQZWMNHYIX-MRXNPFEDSA-N 1 2 368.416 2.964 10 70 FFIELO O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000160702481 509022624 /nfs/dbraw/zinc/02/26/24/509022624.db2.gz OFRXDWSTXOUYQS-CQSZACIVSA-N 1 2 362.779 2.906 10 70 FFIELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161049581 509064639 /nfs/dbraw/zinc/06/46/39/509064639.db2.gz IOVWMFIBHINNED-WIYYLYMNSA-N 1 2 372.513 2.909 10 70 FFIELO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000160601769 509008564 /nfs/dbraw/zinc/00/85/64/509008564.db2.gz FGCMBYVQUZLSKG-AEFFLSMTSA-N 1 2 373.497 2.843 10 70 FFIELO CCC[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000160230704 508957748 /nfs/dbraw/zinc/95/77/48/508957748.db2.gz MXUNUTHKSJRZOE-SUMWQHHRSA-N 1 2 355.429 2.826 10 70 FFIELO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000161126269 509075078 /nfs/dbraw/zinc/07/50/78/509075078.db2.gz KSXFTGSKPNBUQK-ZBFHGGJFSA-N 1 2 368.355 2.723 10 70 FFIELO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000161126269 509075082 /nfs/dbraw/zinc/07/50/82/509075082.db2.gz KSXFTGSKPNBUQK-ZBFHGGJFSA-N 1 2 368.355 2.723 10 70 FFIELO CC(C)[C@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000160228445 508957704 /nfs/dbraw/zinc/95/77/04/508957704.db2.gz LMQIBERQNLSIJU-GUYCJALGSA-N 1 2 355.429 2.682 10 70 FFIELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000160601652 509008551 /nfs/dbraw/zinc/00/85/51/509008551.db2.gz FGCMBYVQUZLSKG-WMZOPIPTSA-N 1 2 373.497 2.843 10 70 FFIELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000161126144 509075160 /nfs/dbraw/zinc/07/51/60/509075160.db2.gz KSXFTGSKPNBUQK-GOEBONIOSA-N 1 2 368.355 2.723 10 70 FFIELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000161126144 509075165 /nfs/dbraw/zinc/07/51/65/509075165.db2.gz KSXFTGSKPNBUQK-GOEBONIOSA-N 1 2 368.355 2.723 10 70 FFIELO O[C@]12CCCC[C@@H]1C[N@H+](Cc1nc(COc3ccc(F)cc3)no1)CC2 ZINC000160857329 509040945 /nfs/dbraw/zinc/04/09/45/509040945.db2.gz FQQCALAVTFDQOR-KUHUBIRLSA-N 1 2 361.417 2.915 10 70 FFIELO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1nc(COc3ccc(F)cc3)no1)CC2 ZINC000160857329 509040947 /nfs/dbraw/zinc/04/09/47/509040947.db2.gz FQQCALAVTFDQOR-KUHUBIRLSA-N 1 2 361.417 2.915 10 70 FFIELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000161049865 509064301 /nfs/dbraw/zinc/06/43/01/509064301.db2.gz IOVWMFIBHINNED-GHTZIAJQSA-N 1 2 372.513 2.909 10 70 FFIELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000161210559 509086289 /nfs/dbraw/zinc/08/62/89/509086289.db2.gz MASTWLBHXLKGIQ-HZPDHXFCSA-N 1 2 356.388 2.872 10 70 FFIELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000161210559 509086294 /nfs/dbraw/zinc/08/62/94/509086294.db2.gz MASTWLBHXLKGIQ-HZPDHXFCSA-N 1 2 356.388 2.872 10 70 FFIELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000160601436 509008558 /nfs/dbraw/zinc/00/85/58/509008558.db2.gz FGCMBYVQUZLSKG-FUHWJXTLSA-N 1 2 373.497 2.843 10 70 FFIELO CC(C)c1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)nn1-c1ccccc1 ZINC000159768188 508888099 /nfs/dbraw/zinc/88/80/99/508888099.db2.gz AJJDZDPGCIYZJR-SFHVURJKSA-N 1 2 368.481 2.542 10 70 FFIELO O=S(=O)(c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1)C(F)F ZINC000161083277 509068734 /nfs/dbraw/zinc/06/87/34/509068734.db2.gz QPEAKPCHLQITHE-RHSMWYFYSA-N 1 2 359.438 2.810 10 70 FFIELO O=S(=O)(c1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1)C(F)F ZINC000161083277 509068735 /nfs/dbraw/zinc/06/87/35/509068735.db2.gz QPEAKPCHLQITHE-RHSMWYFYSA-N 1 2 359.438 2.810 10 70 FFIELO CCc1noc([C@H](C)N2CC[NH+](CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000159383420 508834310 /nfs/dbraw/zinc/83/43/10/508834310.db2.gz GFJWYNPMUHAWRE-INIZCTEOSA-N 1 2 356.470 2.892 10 70 FFIELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159817960 508895430 /nfs/dbraw/zinc/89/54/30/508895430.db2.gz RDNBCAUOGUVINT-CJNGLKHVSA-N 1 2 374.514 2.571 10 70 FFIELO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000159544399 508856481 /nfs/dbraw/zinc/85/64/81/508856481.db2.gz CSSDHTSSQGOPMP-YLJYHZDGSA-N 1 2 358.486 2.518 10 70 FFIELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NCC1CCC1 ZINC000161143146 509076960 /nfs/dbraw/zinc/07/69/60/509076960.db2.gz GZCPDEXIVQVELL-JKSUJKDBSA-N 1 2 356.388 2.729 10 70 FFIELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NCC1CCC1 ZINC000161143146 509076962 /nfs/dbraw/zinc/07/69/62/509076962.db2.gz GZCPDEXIVQVELL-JKSUJKDBSA-N 1 2 356.388 2.729 10 70 FFIELO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000159544526 508856311 /nfs/dbraw/zinc/85/63/11/508856311.db2.gz CSSDHTSSQGOPMP-XLIONFOSSA-N 1 2 358.486 2.518 10 70 FFIELO CC(C)COc1ccc([C@H](C)NC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000160313043 508969327 /nfs/dbraw/zinc/96/93/27/508969327.db2.gz QNGJPCIPOXTWCX-SJORKVTESA-N 1 2 363.502 2.802 10 70 FFIELO CCC[C@H](C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)C(C)C ZINC000160934506 509050235 /nfs/dbraw/zinc/05/02/35/509050235.db2.gz DYUIXKASHVUOCU-QUCCMNQESA-N 1 2 362.514 2.643 10 70 FFIELO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161013165 509060128 /nfs/dbraw/zinc/06/01/28/509060128.db2.gz HCDCDWXKFYDYES-JKSUJKDBSA-N 1 2 356.388 2.682 10 70 FFIELO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161013165 509060130 /nfs/dbraw/zinc/06/01/30/509060130.db2.gz HCDCDWXKFYDYES-JKSUJKDBSA-N 1 2 356.388 2.682 10 70 FFIELO CCc1ccc(C[NH+]2CCN(C(=O)c3cnc4c(c3)ncn4C)CC2)s1 ZINC000160571592 509004289 /nfs/dbraw/zinc/00/42/89/509004289.db2.gz ABEIPOFUBNXFSH-UHFFFAOYSA-N 1 2 369.494 2.550 10 70 FFIELO CCC[C@@H](C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)C(C)C ZINC000160934610 509050505 /nfs/dbraw/zinc/05/05/05/509050505.db2.gz DYUIXKASHVUOCU-UYAOXDASSA-N 1 2 362.514 2.643 10 70 FFIELO C[C@@H](CNC(=O)Nc1ccc(COC2CCCC2)cc1)[NH+]1CCOCC1 ZINC000160535887 508999600 /nfs/dbraw/zinc/99/96/00/508999600.db2.gz JLKZTSTYXKHWQQ-INIZCTEOSA-N 1 2 361.486 2.988 10 70 FFIELO C[C@@H](CC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000160831668 509037626 /nfs/dbraw/zinc/03/76/26/509037626.db2.gz OGKJJWSAIFUKIE-KBPBESRZSA-N 1 2 369.303 2.780 10 70 FFIELO CCC[C@H](C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)C(C)C ZINC000160934267 509050607 /nfs/dbraw/zinc/05/06/07/509050607.db2.gz DYUIXKASHVUOCU-ICSRJNTNSA-N 1 2 362.514 2.643 10 70 FFIELO Cc1cc(NC(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)n(-c2ccccc2F)n1 ZINC000159625607 508867936 /nfs/dbraw/zinc/86/79/36/508867936.db2.gz KAHJIEUCEWOEAO-ROUUACIJSA-N 1 2 372.444 2.902 10 70 FFIELO Cc1cc(NC(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)n(-c2ccccc2F)n1 ZINC000159625607 508867939 /nfs/dbraw/zinc/86/79/39/508867939.db2.gz KAHJIEUCEWOEAO-ROUUACIJSA-N 1 2 372.444 2.902 10 70 FFIELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1C(=O)c1cccs1 ZINC000160420165 508984617 /nfs/dbraw/zinc/98/46/17/508984617.db2.gz NTTBBFYBQFGPPE-OAHLLOKOSA-N 1 2 370.474 2.572 10 70 FFIELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1C(=O)c1cccs1 ZINC000160420165 508984622 /nfs/dbraw/zinc/98/46/22/508984622.db2.gz NTTBBFYBQFGPPE-OAHLLOKOSA-N 1 2 370.474 2.572 10 70 FFIELO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000161014594 509060008 /nfs/dbraw/zinc/06/00/08/509060008.db2.gz HHYLPNFIXVZNEP-VVFCZOMOSA-N 1 2 350.409 2.697 10 70 FFIELO O=C1[C@H]([N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000161014594 509060012 /nfs/dbraw/zinc/06/00/12/509060012.db2.gz HHYLPNFIXVZNEP-VVFCZOMOSA-N 1 2 350.409 2.697 10 70 FFIELO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000161126021 509074774 /nfs/dbraw/zinc/07/47/74/509074774.db2.gz KSXFTGSKPNBUQK-HOCLYGCPSA-N 1 2 368.355 2.723 10 70 FFIELO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000161126021 509074775 /nfs/dbraw/zinc/07/47/75/509074775.db2.gz KSXFTGSKPNBUQK-HOCLYGCPSA-N 1 2 368.355 2.723 10 70 FFIELO Cc1nn(C)c(C)c1C[NH+]1CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000159384428 508834225 /nfs/dbraw/zinc/83/42/25/508834225.db2.gz GFNSDJXPFHWWLE-UHFFFAOYSA-N 1 2 354.498 2.736 10 70 FFIELO C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000161118453 509073589 /nfs/dbraw/zinc/07/35/89/509073589.db2.gz UELCAYWMNABIPJ-YQQAZPJKSA-N 1 2 361.486 2.697 10 70 FFIELO CC(C)[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000160228571 508957502 /nfs/dbraw/zinc/95/75/02/508957502.db2.gz LMQIBERQNLSIJU-SUMWQHHRSA-N 1 2 355.429 2.682 10 70 FFIELO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000160861614 509040999 /nfs/dbraw/zinc/04/09/99/509040999.db2.gz RBGTXMNKATYKID-QRVBRYPASA-N 1 2 354.454 2.977 10 70 FFIELO C[C@H]([C@H](C)NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[NH+]1CCOCC1 ZINC000161118193 509073313 /nfs/dbraw/zinc/07/33/13/509073313.db2.gz UELCAYWMNABIPJ-ZMSDIMECSA-N 1 2 361.486 2.697 10 70 FFIELO CC(C)[C@H](O)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000159690350 508875700 /nfs/dbraw/zinc/87/57/00/508875700.db2.gz TWXRWNKZOMRUNV-NVXWUHKLSA-N 1 2 356.869 2.967 10 70 FFIELO CC(C)[C@H](O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000159690350 508875702 /nfs/dbraw/zinc/87/57/02/508875702.db2.gz TWXRWNKZOMRUNV-NVXWUHKLSA-N 1 2 356.869 2.967 10 70 FFIELO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000159985051 508920522 /nfs/dbraw/zinc/92/05/22/508920522.db2.gz OERWRTAXYSFJGC-GOSISDBHSA-N 1 2 357.454 2.739 10 70 FFIELO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000159985051 508920526 /nfs/dbraw/zinc/92/05/26/508920526.db2.gz OERWRTAXYSFJGC-GOSISDBHSA-N 1 2 357.454 2.739 10 70 FFIELO CCn1cc(C2CC[NH+]([C@@H](C)c3nnnn3-c3ccccc3)CC2)cn1 ZINC000160470592 508991622 /nfs/dbraw/zinc/99/16/22/508991622.db2.gz RHNYBMIIJUGIDD-HNNXBMFYSA-N 1 2 351.458 2.819 10 70 FFIELO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000159372609 508832541 /nfs/dbraw/zinc/83/25/41/508832541.db2.gz CGTUIKVWGJZGPT-XLIONFOSSA-N 1 2 358.486 2.518 10 70 FFIELO C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000159550364 508857028 /nfs/dbraw/zinc/85/70/28/508857028.db2.gz YHFWUFDVBSUOHK-YLJYHZDGSA-N 1 2 364.493 2.958 10 70 FFIELO C[N@H+](Cc1noc(-c2ccsc2)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000160834243 509037616 /nfs/dbraw/zinc/03/76/16/509037616.db2.gz BWDGJZJDXFMPLH-AWEZNQCLSA-N 1 2 356.455 2.689 10 70 FFIELO C[N@@H+](Cc1noc(-c2ccsc2)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000160834243 509037617 /nfs/dbraw/zinc/03/76/17/509037617.db2.gz BWDGJZJDXFMPLH-AWEZNQCLSA-N 1 2 356.455 2.689 10 70 FFIELO CC(C)(C)c1nsc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000159968319 508918352 /nfs/dbraw/zinc/91/83/52/508918352.db2.gz WISCCTVEOYVTKB-HZPDHXFCSA-N 1 2 358.511 2.925 10 70 FFIELO CC(C)(C)c1nsc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000159968319 508918354 /nfs/dbraw/zinc/91/83/54/508918354.db2.gz WISCCTVEOYVTKB-HZPDHXFCSA-N 1 2 358.511 2.925 10 70 FFIELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NCC1CCC1 ZINC000161143393 509077077 /nfs/dbraw/zinc/07/70/77/509077077.db2.gz GZCPDEXIVQVELL-HZPDHXFCSA-N 1 2 356.388 2.729 10 70 FFIELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NCC1CCC1 ZINC000161143393 509077078 /nfs/dbraw/zinc/07/70/78/509077078.db2.gz GZCPDEXIVQVELL-HZPDHXFCSA-N 1 2 356.388 2.729 10 70 FFIELO O=C(/C=C/c1c(Cl)nc2sccn12)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161208332 509086242 /nfs/dbraw/zinc/08/62/42/509086242.db2.gz GMJVUHITXQVZRH-ITKZLYELSA-N 1 2 373.869 2.853 10 70 FFIELO CC(C)[C@H](O)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000159690640 508875897 /nfs/dbraw/zinc/87/58/97/508875897.db2.gz TWXRWNKZOMRUNV-DOTOQJQBSA-N 1 2 356.869 2.967 10 70 FFIELO CC(C)[C@H](O)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000159690640 508875900 /nfs/dbraw/zinc/87/59/00/508875900.db2.gz TWXRWNKZOMRUNV-DOTOQJQBSA-N 1 2 356.869 2.967 10 70 FFIELO Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159817845 508895457 /nfs/dbraw/zinc/89/54/57/508895457.db2.gz RDNBCAUOGUVINT-XJKSGUPXSA-N 1 2 374.514 2.571 10 70 FFIELO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000159984903 508920668 /nfs/dbraw/zinc/92/06/68/508920668.db2.gz OERWRTAXYSFJGC-SFHVURJKSA-N 1 2 357.454 2.739 10 70 FFIELO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000159984903 508920671 /nfs/dbraw/zinc/92/06/71/508920671.db2.gz OERWRTAXYSFJGC-SFHVURJKSA-N 1 2 357.454 2.739 10 70 FFIELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000161049990 509064579 /nfs/dbraw/zinc/06/45/79/509064579.db2.gz IOVWMFIBHINNED-RXVVDRJESA-N 1 2 372.513 2.909 10 70 FFIELO CC(C)[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000160228304 508957789 /nfs/dbraw/zinc/95/77/89/508957789.db2.gz LMQIBERQNLSIJU-CXAGYDPISA-N 1 2 355.429 2.682 10 70 FFIELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1C(=O)c1cccs1 ZINC000160420300 508984325 /nfs/dbraw/zinc/98/43/25/508984325.db2.gz NTTBBFYBQFGPPE-HNNXBMFYSA-N 1 2 370.474 2.572 10 70 FFIELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1C(=O)c1cccs1 ZINC000160420300 508984328 /nfs/dbraw/zinc/98/43/28/508984328.db2.gz NTTBBFYBQFGPPE-HNNXBMFYSA-N 1 2 370.474 2.572 10 70 FFIELO Cc1ncc(C[NH+]2CCN(Cc3noc(-c4ccsc4)n3)CC2)s1 ZINC000160834668 509037993 /nfs/dbraw/zinc/03/79/93/509037993.db2.gz ZTWVUNHDMHFSPD-UHFFFAOYSA-N 1 2 361.496 2.881 10 70 FFIELO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3noc(-c4ccsc4)n3)C2)n1 ZINC000160871937 509042277 /nfs/dbraw/zinc/04/22/77/509042277.db2.gz HJAAPLXJVFZVNI-AWEZNQCLSA-N 1 2 358.471 2.919 10 70 FFIELO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)n1 ZINC000160871937 509042280 /nfs/dbraw/zinc/04/22/80/509042280.db2.gz HJAAPLXJVFZVNI-AWEZNQCLSA-N 1 2 358.471 2.919 10 70 FFIELO O=S(=O)(c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1)C(F)F ZINC000161083419 509069093 /nfs/dbraw/zinc/06/90/93/509069093.db2.gz QPEAKPCHLQITHE-PBHICJAKSA-N 1 2 359.438 2.810 10 70 FFIELO O=S(=O)(c1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1)C(F)F ZINC000161083419 509069097 /nfs/dbraw/zinc/06/90/97/509069097.db2.gz QPEAKPCHLQITHE-PBHICJAKSA-N 1 2 359.438 2.810 10 70 FFIELO C[C@H]1CC[C@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000159550206 508857193 /nfs/dbraw/zinc/85/71/93/508857193.db2.gz YHFWUFDVBSUOHK-PXNSSMCTSA-N 1 2 364.493 2.958 10 70 FFIELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3OC)o2)C1 ZINC000160192687 508952202 /nfs/dbraw/zinc/95/22/02/508952202.db2.gz FCRAPKVLYFYNFR-CQSZACIVSA-N 1 2 358.442 2.626 10 70 FFIELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3OC)o2)C1 ZINC000160192687 508952205 /nfs/dbraw/zinc/95/22/05/508952205.db2.gz FCRAPKVLYFYNFR-CQSZACIVSA-N 1 2 358.442 2.626 10 70 FFIELO CC(C)S(=O)(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161197584 509084364 /nfs/dbraw/zinc/08/43/64/509084364.db2.gz LWQUCCRBHWPJRC-HUUCEWRRSA-N 1 2 365.417 2.636 10 70 FFIELO CC(C)S(=O)(=O)CC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161197584 509084366 /nfs/dbraw/zinc/08/43/66/509084366.db2.gz LWQUCCRBHWPJRC-HUUCEWRRSA-N 1 2 365.417 2.636 10 70 FFIELO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000159372722 508832149 /nfs/dbraw/zinc/83/21/49/508832149.db2.gz CGTUIKVWGJZGPT-FXAWDEMLSA-N 1 2 358.486 2.518 10 70 FFIELO CC(C)COc1ccc([C@@H](C)NC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000160312686 508969540 /nfs/dbraw/zinc/96/95/40/508969540.db2.gz QNGJPCIPOXTWCX-DLBZAZTESA-N 1 2 363.502 2.802 10 70 FFIELO Cn1cnc2cc(C(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)cnc21 ZINC000160425301 508985160 /nfs/dbraw/zinc/98/51/60/508985160.db2.gz KBNWLRBVBQCFNS-UHFFFAOYSA-N 1 2 364.453 2.674 10 70 FFIELO O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000160702357 509022738 /nfs/dbraw/zinc/02/27/38/509022738.db2.gz OFRXDWSTXOUYQS-AWEZNQCLSA-N 1 2 362.779 2.906 10 70 FFIELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000161210314 509086796 /nfs/dbraw/zinc/08/67/96/509086796.db2.gz MASTWLBHXLKGIQ-JKSUJKDBSA-N 1 2 356.388 2.872 10 70 FFIELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000161210314 509086800 /nfs/dbraw/zinc/08/68/00/509086800.db2.gz MASTWLBHXLKGIQ-JKSUJKDBSA-N 1 2 356.388 2.872 10 70 FFIELO CC(C)c1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)nn1-c1ccccc1 ZINC000159768317 508887640 /nfs/dbraw/zinc/88/76/40/508887640.db2.gz AJJDZDPGCIYZJR-GOSISDBHSA-N 1 2 368.481 2.542 10 70 FFIELO O=C(Nc1ccnn1Cc1ccccc1F)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000160414872 508984039 /nfs/dbraw/zinc/98/40/39/508984039.db2.gz LBCXRQZWMNHYIX-INIZCTEOSA-N 1 2 368.416 2.964 10 70 FFIELO C[N@H+](Cc1noc(-c2ccsc2)n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000160834099 509037653 /nfs/dbraw/zinc/03/76/53/509037653.db2.gz BWDGJZJDXFMPLH-CQSZACIVSA-N 1 2 356.455 2.689 10 70 FFIELO C[N@@H+](Cc1noc(-c2ccsc2)n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000160834099 509037658 /nfs/dbraw/zinc/03/76/58/509037658.db2.gz BWDGJZJDXFMPLH-CQSZACIVSA-N 1 2 356.455 2.689 10 70 FFIELO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000159544783 508856424 /nfs/dbraw/zinc/85/64/24/508856424.db2.gz CSSDHTSSQGOPMP-PXNSSMCTSA-N 1 2 358.486 2.518 10 70 FFIELO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3noc(-c4ccsc4)n3)C2)n1 ZINC000160871810 509042241 /nfs/dbraw/zinc/04/22/41/509042241.db2.gz HJAAPLXJVFZVNI-CQSZACIVSA-N 1 2 358.471 2.919 10 70 FFIELO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)n1 ZINC000160871810 509042243 /nfs/dbraw/zinc/04/22/43/509042243.db2.gz HJAAPLXJVFZVNI-CQSZACIVSA-N 1 2 358.471 2.919 10 70 FFIELO O=C(/C=C/c1c(Cl)nc2sccn12)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161208457 509086152 /nfs/dbraw/zinc/08/61/52/509086152.db2.gz GMJVUHITXQVZRH-ZYOFXKKJSA-N 1 2 373.869 2.853 10 70 FFIELO