smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120818616 823070730 /nfs/dbraw/zinc/07/07/30/823070730.db2.gz DPJTUEMVMDFFGF-XXBNENTESA-N 1 0 397.538 4.150 20 10 GICDRO CC[C@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)c1ccccc1O ZINC000121097123 823117889 /nfs/dbraw/zinc/11/78/89/823117889.db2.gz BWORTGZSERGYSE-HNNXBMFYSA-N 1 0 380.282 4.413 20 10 GICDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000121631608 823219412 /nfs/dbraw/zinc/21/94/12/823219412.db2.gz FEFRCMOGGSCADH-JKSUJKDBSA-N 1 0 385.483 4.033 20 10 GICDRO Cc1cccnc1NC(=O)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000057088603 823248413 /nfs/dbraw/zinc/24/84/13/823248413.db2.gz MOVLIJDUUCADHG-UHFFFAOYSA-N 1 0 375.472 4.100 20 10 GICDRO C[C@H](c1ccccc1)[N@H+](Cc1cc(=O)n2ccsc2n1)Cc1ccccc1O ZINC000176679290 823265738 /nfs/dbraw/zinc/26/57/38/823265738.db2.gz NOPHOWYXGOUCEB-MRXNPFEDSA-N 1 0 391.496 4.225 20 10 GICDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000058474573 823397165 /nfs/dbraw/zinc/39/71/65/823397165.db2.gz IIYAVTJCFNWGPW-UHFFFAOYSA-N 1 0 388.437 4.262 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122796548 823413778 /nfs/dbraw/zinc/41/37/78/823413778.db2.gz OYPKQDOWQTZUFU-HXOBKFHXSA-N 1 0 386.511 4.307 20 10 GICDRO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2c3c(ccc2O)oc2c3CCCC2)cn1 ZINC000189873831 823508678 /nfs/dbraw/zinc/50/86/78/823508678.db2.gz VACFMWYYSAKZHJ-KRWDZBQOSA-N 1 0 383.517 4.041 20 10 GICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000181383155 821798143 /nfs/dbraw/zinc/79/81/43/821798143.db2.gz MGWSEHYTHDZEME-CQSZACIVSA-N 1 0 378.875 4.175 20 10 GICDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)no1 ZINC000181846019 822015305 /nfs/dbraw/zinc/01/53/05/822015305.db2.gz JIGOUQCBGWPVCD-QZTJIDSGSA-N 1 0 392.503 4.028 20 10 GICDRO COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)c3cc(OC)ccc3O)cs2)c1 ZINC000182435155 822241675 /nfs/dbraw/zinc/24/16/75/822241675.db2.gz KWMGVOHOGVWYAB-CYBMUJFWSA-N 1 0 398.484 4.162 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000177973954 822264534 /nfs/dbraw/zinc/26/45/34/822264534.db2.gz NQTPFWZGQNLLLU-IBGZPJMESA-N 1 0 390.531 4.450 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177973751 822264630 /nfs/dbraw/zinc/26/46/30/822264630.db2.gz GTUPPMMZDUWAOA-SFHVURJKSA-N 1 0 383.511 4.113 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2ccccc2n1 ZINC000178536434 822389276 /nfs/dbraw/zinc/38/92/76/822389276.db2.gz NOMFNYBHJVJOHF-MRXNPFEDSA-N 1 0 379.479 4.186 20 10 GICDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000045780161 822412889 /nfs/dbraw/zinc/41/28/89/822412889.db2.gz WGGHFQWBKXOLFY-GOSISDBHSA-N 1 0 381.520 4.108 20 10 GICDRO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183103328 822424797 /nfs/dbraw/zinc/42/47/97/822424797.db2.gz FLAHIQWESOPJJO-MUUNZHRXSA-N 1 0 395.524 4.341 20 10 GICDRO Cc1nc(C(F)(F)F)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000183611627 822501273 /nfs/dbraw/zinc/50/12/73/822501273.db2.gz BISNNMQDNZNDQA-CQSZACIVSA-N 1 0 386.439 4.357 20 10 GICDRO C[NH+](C)Cc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000047505694 822585134 /nfs/dbraw/zinc/58/51/34/822585134.db2.gz BIFYAYJSNBKCOG-UHFFFAOYSA-N 1 0 379.460 4.281 20 10 GICDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)c2ccc(F)cc2C1 ZINC000184515270 822648821 /nfs/dbraw/zinc/64/88/21/822648821.db2.gz KMLQHURVYQXKRQ-BUXKBTBVSA-N 1 0 376.859 4.329 20 10 GICDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000184887795 822707626 /nfs/dbraw/zinc/70/76/26/822707626.db2.gz UNANKJFGKNHWPO-IRXDYDNUSA-N 1 0 390.549 4.143 20 10 GICDRO CSCC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1nnc2ccccn21 ZINC000184908203 822711372 /nfs/dbraw/zinc/71/13/72/822711372.db2.gz RPBOPCBIXZFZBK-BEFAXECRSA-N 1 0 396.560 4.459 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc2ccccc2c1O ZINC000185031314 822727284 /nfs/dbraw/zinc/72/72/84/822727284.db2.gz RFFOSRNCQANHTR-KURKYZTESA-N 1 0 391.515 4.405 20 10 GICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000185060482 822730910 /nfs/dbraw/zinc/73/09/10/822730910.db2.gz SEDUEMQQVJJVEC-OAHLLOKOSA-N 1 0 394.437 4.407 20 10 GICDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185172665 822745318 /nfs/dbraw/zinc/74/53/18/822745318.db2.gz ALYNCUXENLFRFV-KRWDZBQOSA-N 1 0 378.516 4.226 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000185181861 822746511 /nfs/dbraw/zinc/74/65/11/822746511.db2.gz TUYGWDBFKRYHDW-SFHVURJKSA-N 1 0 388.511 4.332 20 10 GICDRO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1)c1ccccc1 ZINC000185259906 822755907 /nfs/dbraw/zinc/75/59/07/822755907.db2.gz XSISMGLOHDUTSO-UWJYYQICSA-N 1 0 396.531 4.236 20 10 GICDRO COc1cc(O)c(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)cc1OC ZINC000185623490 822803589 /nfs/dbraw/zinc/80/35/89/822803589.db2.gz ZZFWLKSTNYZLFJ-UHFFFAOYSA-N 1 0 397.446 4.417 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2cc3c(cc(OC)cc3OC)[nH]2)c1 ZINC000185672831 822808949 /nfs/dbraw/zinc/80/89/49/822808949.db2.gz DPQHNYDWMCWVPN-AWEZNQCLSA-N 1 0 384.476 4.183 20 10 GICDRO CC[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1cc(Br)ccc1O ZINC000186092840 822850835 /nfs/dbraw/zinc/85/08/35/822850835.db2.gz NHLLBWAJJAYZBN-KRWDZBQOSA-N 1 0 377.282 4.354 20 10 GICDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000186164446 822857319 /nfs/dbraw/zinc/85/73/19/822857319.db2.gz SINFYLLDBRUGJS-FUHWJXTLSA-N 1 0 383.513 4.449 20 10 GICDRO Cc1cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(O)c(C(C)(C)C)c1 ZINC000054471322 822888269 /nfs/dbraw/zinc/88/82/69/822888269.db2.gz GWHDUKPYVUBCNV-KRWDZBQOSA-N 1 0 386.580 4.469 20 10 GICDRO Cc1csc(-c2noc(Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)n2)n1 ZINC000569389451 822915035 /nfs/dbraw/zinc/91/50/35/822915035.db2.gz TZKFSNLAOFRHPI-UHFFFAOYSA-N 1 0 393.516 4.271 20 10 GICDRO CN1C(=O)CCc2cc(C[N@H+](Cc3ccco3)Cc3ccccc3O)ccc21 ZINC000186746611 822949061 /nfs/dbraw/zinc/94/90/61/822949061.db2.gz JMTFGZCOIAVFNG-UHFFFAOYSA-N 1 0 376.456 4.097 20 10 GICDRO CC(=O)c1cc(F)cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c1O ZINC000175614437 823006863 /nfs/dbraw/zinc/00/68/63/823006863.db2.gz AEFLSRIMJIENEI-UHFFFAOYSA-N 1 0 378.241 4.275 20 10 GICDRO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000123950243 823554499 /nfs/dbraw/zinc/55/44/99/823554499.db2.gz PWBPGWXAYUJFFP-UHFFFAOYSA-N 1 0 394.437 4.096 20 10 GICDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124119762 823569255 /nfs/dbraw/zinc/56/92/55/823569255.db2.gz OHHDPRKCLIDYDI-OAQYLSRUSA-N 1 0 393.579 4.374 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000125665659 823694830 /nfs/dbraw/zinc/69/48/30/823694830.db2.gz OLJCAZJLMPQFNP-SFHVURJKSA-N 1 0 386.561 4.072 20 10 GICDRO COc1ccc2cc(/C=C3\SC(=S)N(C4CC[NH+](C)CC4)C3=O)ccc2c1 ZINC000063824103 823699737 /nfs/dbraw/zinc/69/97/37/823699737.db2.gz ZGGWFDAGFRNRHW-UNOMPAQXSA-N 1 0 398.553 4.144 20 10 GICDRO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163391710 823705858 /nfs/dbraw/zinc/70/58/58/823705858.db2.gz KOPYQTHXKCUTAT-HXUWFJFHSA-N 1 0 394.412 4.458 20 10 GICDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163400042 823706435 /nfs/dbraw/zinc/70/64/35/823706435.db2.gz JVGCTHXZJLSQEH-HNNXBMFYSA-N 1 0 394.437 4.401 20 10 GICDRO COc1ccc(N2CCC([NH2+]Cc3ccc(N4CCSCC4)cc3)CC2)cc1 ZINC000163606446 823727593 /nfs/dbraw/zinc/72/75/93/823727593.db2.gz XAONRZUVSRTBAX-UHFFFAOYSA-N 1 0 397.588 4.007 20 10 GICDRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164329680 823796826 /nfs/dbraw/zinc/79/68/26/823796826.db2.gz LOSCWGDJXMQLIW-INIZCTEOSA-N 1 0 390.568 4.073 20 10 GICDRO COc1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(O)c(C(C)(C)C)c1 ZINC000164466793 823803776 /nfs/dbraw/zinc/80/37/76/823803776.db2.gz REWKCUZZXOWBJP-LJQANCHMSA-N 1 0 391.552 4.248 20 10 GICDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000126806987 823956303 /nfs/dbraw/zinc/95/63/03/823956303.db2.gz GRSUQJFOQNTGNV-YLJYHZDGSA-N 1 0 387.543 4.258 20 10 GICDRO COc1cc(Br)cc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c1O ZINC000175988715 823089819 /nfs/dbraw/zinc/08/98/19/823089819.db2.gz YIQYDJWPAFGCPM-UHFFFAOYSA-N 1 0 386.236 4.466 20 10 GICDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(CO)c1 ZINC000122019716 823294197 /nfs/dbraw/zinc/29/41/97/823294197.db2.gz WVGQNTITDIZWAW-YJBOKZPZSA-N 1 0 376.447 4.100 20 10 GICDRO CN(C)c1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000017318035 818509232 /nfs/dbraw/zinc/50/92/32/818509232.db2.gz RWKUYINGXAVKQV-UHFFFAOYSA-N 1 0 397.526 4.349 20 10 GICDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccc1OCc1ccncc1 ZINC000030545864 820637911 /nfs/dbraw/zinc/63/79/11/820637911.db2.gz HQPUEYSZCACZMU-UHFFFAOYSA-N 1 0 377.488 4.025 20 10 GICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2ccc(C(=O)NC)cc2)cc1 ZINC000030671560 820662641 /nfs/dbraw/zinc/66/26/41/820662641.db2.gz CVRDRZUQORZGIC-UHFFFAOYSA-N 1 0 387.527 4.363 20 10 GICDRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(N2CCCCC2)cc1 ZINC000180788389 821458732 /nfs/dbraw/zinc/45/87/32/821458732.db2.gz WPZSANXMYCWFJE-MRXNPFEDSA-N 1 0 387.474 4.036 20 10 GICDRO COc1ccc(C[C@H]([NH2+]Cc2cc(OC)ccc2O)c2ccc(OC)cc2)cc1 ZINC000180895124 821521033 /nfs/dbraw/zinc/52/10/33/821521033.db2.gz QTBJYCORFHJBND-QHCPKHFHSA-N 1 0 393.483 4.492 20 10 GICDRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000181581857 821888268 /nfs/dbraw/zinc/88/82/68/821888268.db2.gz GWCWTGVNCAFBMG-ZDUSSCGKSA-N 1 0 384.421 4.419 20 10 GICDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000181989688 822055299 /nfs/dbraw/zinc/05/52/99/822055299.db2.gz GZTIOXNIOUEINC-JOCHJYFZSA-N 1 0 384.495 4.038 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC(F)F)c1 ZINC000182337341 822207115 /nfs/dbraw/zinc/20/71/15/822207115.db2.gz IROACLLDAQETBM-NSHDSACASA-N 1 0 382.432 4.005 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000182411452 822233592 /nfs/dbraw/zinc/23/35/92/822233592.db2.gz QLLXETPBLLNFJU-CQSZACIVSA-N 1 0 385.439 4.182 20 10 GICDRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178365383 822371673 /nfs/dbraw/zinc/37/16/73/822371673.db2.gz AVFFWSPXPZVEES-OAHLLOKOSA-N 1 0 387.465 4.493 20 10 GICDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000178524704 822387932 /nfs/dbraw/zinc/38/79/32/822387932.db2.gz PTDDDRWULVPPQP-SFHVURJKSA-N 1 0 399.558 4.417 20 10 GICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(C)ccc1OC ZINC000179405551 822478203 /nfs/dbraw/zinc/47/82/03/822478203.db2.gz CKVFQLZFWLTHLX-OAQYLSRUSA-N 1 0 386.511 4.345 20 10 GICDRO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000183536887 822491770 /nfs/dbraw/zinc/49/17/70/822491770.db2.gz QDYZGAWMMUFIDX-AOMKIAJQSA-N 1 0 381.497 4.236 20 10 GICDRO COc1cc(O)c(C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1OC ZINC000179913957 822575997 /nfs/dbraw/zinc/57/59/97/822575997.db2.gz IZGRYNNTPJADPP-UHFFFAOYSA-N 1 0 384.451 4.409 20 10 GICDRO COc1cc(Cl)cc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c1O ZINC000184710756 822680307 /nfs/dbraw/zinc/68/03/07/822680307.db2.gz QINVNRKZYVERGC-UHFFFAOYSA-N 1 0 383.822 4.128 20 10 GICDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750518 822681381 /nfs/dbraw/zinc/68/13/81/822681381.db2.gz IBGDDFJHYZCKCX-OAQYLSRUSA-N 1 0 396.531 4.246 20 10 GICDRO COc1cc([C@H](C)[NH2+]Cc2cc(F)ccc2O)ccc1OCc1ccncc1 ZINC000180487630 822689878 /nfs/dbraw/zinc/68/98/78/822689878.db2.gz DSVOWENPLJKKIZ-HNNXBMFYSA-N 1 0 382.435 4.365 20 10 GICDRO C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1cc2c(cc1O)CCCC2 ZINC000185010973 822725091 /nfs/dbraw/zinc/72/50/91/822725091.db2.gz VBUARMLNTOIQMI-KRWDZBQOSA-N 1 0 378.516 4.244 20 10 GICDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000185024676 822726476 /nfs/dbraw/zinc/72/64/76/822726476.db2.gz HXSGQCWMSMQPLT-AWEZNQCLSA-N 1 0 379.426 4.434 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cc2c(cc1O)CCCC2 ZINC000185031343 822727349 /nfs/dbraw/zinc/72/73/49/822727349.db2.gz WDKHXNSQOGRNMO-KSZLIROESA-N 1 0 395.547 4.130 20 10 GICDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000185058305 822730506 /nfs/dbraw/zinc/73/05/06/822730506.db2.gz OPMBDDRGOJSKIJ-ZIAGYGMSSA-N 1 0 388.895 4.115 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)ccc1O ZINC000185060614 822730873 /nfs/dbraw/zinc/73/08/73/822730873.db2.gz GOCOEKDVQZPZBJ-ZDUSSCGKSA-N 1 0 398.400 4.238 20 10 GICDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(C)c(C)cc2O)CC1)c1ccccc1 ZINC000174326768 822771501 /nfs/dbraw/zinc/77/15/01/822771501.db2.gz DZWWLTCNUQIDNT-JOCHJYFZSA-N 1 0 380.532 4.283 20 10 GICDRO CC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(C)c2O)c2ccc(F)cc2C1 ZINC000185604046 822801197 /nfs/dbraw/zinc/80/11/97/822801197.db2.gz UMKLUTYGAQKFJF-IBGZPJMESA-N 1 0 376.859 4.076 20 10 GICDRO C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000185645619 822806202 /nfs/dbraw/zinc/80/62/02/822806202.db2.gz PIUOAMPFOATLFH-SFHVURJKSA-N 1 0 386.511 4.253 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 ZINC000186145199 822855434 /nfs/dbraw/zinc/85/54/34/822855434.db2.gz HXUJHXQCIHALPG-MFEFFIJZSA-N 1 0 385.504 4.377 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000186541640 822910755 /nfs/dbraw/zinc/91/07/55/822910755.db2.gz PXTFYDZTEIVWNL-HNNXBMFYSA-N 1 0 378.513 4.089 20 10 GICDRO FC(F)(F)CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000191781961 823766847 /nfs/dbraw/zinc/76/68/47/823766847.db2.gz CCWQJQIVEXQFRS-UHFFFAOYSA-N 1 0 378.438 4.478 20 10 GICDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000191852673 823796074 /nfs/dbraw/zinc/79/60/74/823796074.db2.gz JLTMOALMOIUHMB-MONBJTKQSA-N 1 0 384.495 4.091 20 10 GICDRO COc1cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000164541751 823807855 /nfs/dbraw/zinc/80/78/55/823807855.db2.gz NMURWCRSSVBWRS-UHFFFAOYSA-N 1 0 385.430 4.083 20 10 GICDRO CSc1nnc(CCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1CC(C)C ZINC000165644694 823856464 /nfs/dbraw/zinc/85/64/64/823856464.db2.gz GUTGBQSYRWOYAE-INIZCTEOSA-N 1 0 375.586 4.005 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166455071 823877857 /nfs/dbraw/zinc/87/78/57/823877857.db2.gz YSBLCTFGKVDTDX-NTKDMRAZSA-N 1 0 380.532 4.422 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167785473 823895107 /nfs/dbraw/zinc/89/51/07/823895107.db2.gz ZYZIXVGESWUGPE-DLBZAZTESA-N 1 0 385.527 4.265 20 10 GICDRO CCN(CC)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000171050160 824047886 /nfs/dbraw/zinc/04/78/86/824047886.db2.gz CSRQNKBSICLOAW-UHFFFAOYSA-N 1 0 393.491 4.131 20 10 GICDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000187379934 823052784 /nfs/dbraw/zinc/05/27/84/823052784.db2.gz KRDFVIWGZCSRRB-RVSPLBMKSA-N 1 0 386.355 4.168 20 10 GICDRO CCSc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000187795339 823134819 /nfs/dbraw/zinc/13/48/19/823134819.db2.gz PPOXSWDWDNTMND-OAHLLOKOSA-N 1 0 375.513 4.020 20 10 GICDRO COc1cc(O)c(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000188050221 823177669 /nfs/dbraw/zinc/17/76/69/823177669.db2.gz JNGMIUVECDCWDB-UHFFFAOYSA-N 1 0 385.382 4.333 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCC(O)CC2)cc1)c1ccccc1-n1cccn1 ZINC000121822324 823258056 /nfs/dbraw/zinc/25/80/56/823258056.db2.gz XDTPHOCTWDLNGK-RBUKOAKNSA-N 1 0 390.531 4.245 20 10 GICDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000017319296 818509430 /nfs/dbraw/zinc/50/94/30/818509430.db2.gz POZNRNDFMVTAFC-UHFFFAOYSA-N 1 0 380.488 4.410 20 10 GICDRO CCC[N@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000022015293 818763549 /nfs/dbraw/zinc/76/35/49/818763549.db2.gz HLEFKCSDEOMQEV-SFHVURJKSA-N 1 0 395.609 4.386 20 10 GICDRO Cc1cc(O)c(C[NH+]2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1C ZINC000023849102 818986068 /nfs/dbraw/zinc/98/60/68/818986068.db2.gz WYOZNDUJXOBWTQ-QGZVFWFLSA-N 1 0 381.545 4.498 20 10 GICDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 ZINC000122688541 823394812 /nfs/dbraw/zinc/39/48/12/823394812.db2.gz KLQTVZSOGBAOSB-SBUREZEXSA-N 1 0 385.504 4.206 20 10 GICDRO CN(C)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000026316527 820082038 /nfs/dbraw/zinc/08/20/38/820082038.db2.gz DYQSKXCSSBPOQI-UHFFFAOYSA-N 1 0 383.499 4.290 20 10 GICDRO COc1cc(O)c(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1OC ZINC000180711117 821410224 /nfs/dbraw/zinc/41/02/24/821410224.db2.gz ZUFARMPWUBUBBJ-HXUWFJFHSA-N 1 0 399.512 4.207 20 10 GICDRO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(N2CCCCC2)cc1 ZINC000180788370 821458831 /nfs/dbraw/zinc/45/88/31/821458831.db2.gz WPZSANXMYCWFJE-INIZCTEOSA-N 1 0 387.474 4.036 20 10 GICDRO Cc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180925392 821541794 /nfs/dbraw/zinc/54/17/94/821541794.db2.gz QGIPIMFKGOWAOA-JOCHJYFZSA-N 1 0 399.487 4.122 20 10 GICDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000181074358 821619730 /nfs/dbraw/zinc/61/97/30/821619730.db2.gz DOIRZLNJVWWMMV-QGZVFWFLSA-N 1 0 387.499 4.188 20 10 GICDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000181278754 821731153 /nfs/dbraw/zinc/73/11/53/821731153.db2.gz YLOSGUHYBIHMOW-BPXKWBHBSA-N 1 0 378.532 4.297 20 10 GICDRO C[C@@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000181331203 821763917 /nfs/dbraw/zinc/76/39/17/821763917.db2.gz XFPSYHZGHHCHGE-QRWLVFNGSA-N 1 0 388.458 4.366 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000181527739 821867384 /nfs/dbraw/zinc/86/73/84/821867384.db2.gz UZRMFBKONZTDGG-HNNXBMFYSA-N 1 0 389.421 4.264 20 10 GICDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)cc1Cn1cccn1 ZINC000177975327 822265146 /nfs/dbraw/zinc/26/51/46/822265146.db2.gz VFCHSDFHYLQSIL-LJQANCHMSA-N 1 0 390.531 4.391 20 10 GICDRO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000178194225 822348986 /nfs/dbraw/zinc/34/89/86/822348986.db2.gz JUOXVTCZLKPIQY-FPOVZHCZSA-N 1 0 379.552 4.177 20 10 GICDRO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(-c2cccs2)n1 ZINC000183513516 822488375 /nfs/dbraw/zinc/48/83/75/822488375.db2.gz WSLIKFHPYTUCBW-SFHVURJKSA-N 1 0 383.517 4.035 20 10 GICDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000183566441 822495834 /nfs/dbraw/zinc/49/58/34/822495834.db2.gz IMZBQBWCQXJVBR-LJQANCHMSA-N 1 0 396.531 4.326 20 10 GICDRO OC1CCN(c2ccc(CN[C@H](c3ccccc3)c3ccccn3)cc2F)CC1 ZINC000180214572 822640810 /nfs/dbraw/zinc/64/08/10/822640810.db2.gz YQXKIZRLIMULLW-XMMPIXPASA-N 1 0 391.490 4.061 20 10 GICDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000180504220 822692392 /nfs/dbraw/zinc/69/23/92/822692392.db2.gz TWQBBGOUYRJJMQ-GDBMZVCRSA-N 1 0 382.323 4.304 20 10 GICDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000184887777 822707621 /nfs/dbraw/zinc/70/76/21/822707621.db2.gz UNANKJFGKNHWPO-SJORKVTESA-N 1 0 390.549 4.143 20 10 GICDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000184887834 822707636 /nfs/dbraw/zinc/70/76/36/822707636.db2.gz UNANKJFGKNHWPO-DLBZAZTESA-N 1 0 390.549 4.143 20 10 GICDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185362594 822771879 /nfs/dbraw/zinc/77/18/79/822771879.db2.gz JBOFGTDCWJUKPS-CVEARBPZSA-N 1 0 389.490 4.224 20 10 GICDRO Cc1cc(O)c(C[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1C ZINC000174335035 822773346 /nfs/dbraw/zinc/77/33/46/822773346.db2.gz QQUMIPBUWGWKBF-GOSISDBHSA-N 1 0 381.520 4.116 20 10 GICDRO CC[N@H+](Cc1cccc(NC(C)=O)c1)Cc1cc(Br)ccc1O ZINC000174424401 822788204 /nfs/dbraw/zinc/78/82/04/822788204.db2.gz YXHQKUQAXIWLHY-UHFFFAOYSA-N 1 0 377.282 4.135 20 10 GICDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174513449 822799517 /nfs/dbraw/zinc/79/95/17/822799517.db2.gz GDGPAZNTANCXBQ-UHFFFAOYSA-N 1 0 378.472 4.009 20 10 GICDRO C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000185593836 822800230 /nfs/dbraw/zinc/80/02/30/822800230.db2.gz IJFBJRCSDGHFPI-OYHNWAKOSA-N 1 0 399.487 4.375 20 10 GICDRO COc1ccc(N2CCC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000052466553 822800735 /nfs/dbraw/zinc/80/07/35/822800735.db2.gz XKNXOQIPMQADIK-UHFFFAOYSA-N 1 0 381.451 4.202 20 10 GICDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1 ZINC000174621297 822813577 /nfs/dbraw/zinc/81/35/77/822813577.db2.gz USMHNDSFDWURRW-ZDUSSCGKSA-N 1 0 383.420 4.016 20 10 GICDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000186101160 822851765 /nfs/dbraw/zinc/85/17/65/822851765.db2.gz PHNMTSIBPYDJKZ-ROUUACIJSA-N 1 0 384.520 4.408 20 10 GICDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000186101401 822851828 /nfs/dbraw/zinc/85/18/28/822851828.db2.gz GBRHHEXGHRYTQT-HOTGVXAUSA-N 1 0 388.483 4.238 20 10 GICDRO CN(C)c1ccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000055047653 822934644 /nfs/dbraw/zinc/93/46/44/822934644.db2.gz ARUDGXUUAAQMGL-UHFFFAOYSA-N 1 0 394.563 4.080 20 10 GICDRO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000124088655 823566654 /nfs/dbraw/zinc/56/66/54/823566654.db2.gz FKNHDJXBPVYACL-UHFFFAOYSA-N 1 0 397.441 4.320 20 10 GICDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124119521 823569274 /nfs/dbraw/zinc/56/92/74/823569274.db2.gz OHHDPRKCLIDYDI-NRFANRHFSA-N 1 0 393.579 4.374 20 10 GICDRO CCOc1cccc(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)c1O ZINC000191679684 823731274 /nfs/dbraw/zinc/73/12/74/823731274.db2.gz BAPZNHTYGUXAPV-UHFFFAOYSA-N 1 0 383.536 4.242 20 10 GICDRO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000126042839 823773288 /nfs/dbraw/zinc/77/32/88/823773288.db2.gz HCZUPZLFOQCMDM-UHFFFAOYSA-N 1 0 378.447 4.033 20 10 GICDRO CC[C@H]([NH2+][C@@H](CCSC)c1nnc2ccccn21)c1ccc(N(C)C)cc1 ZINC000164261579 823791135 /nfs/dbraw/zinc/79/11/35/823791135.db2.gz PFNQFPOFSBHFAX-OALUTQOASA-N 1 0 383.565 4.330 20 10 GICDRO COc1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(O)c(C(C)(C)C)c1 ZINC000164466661 823803936 /nfs/dbraw/zinc/80/39/36/823803936.db2.gz REWKCUZZXOWBJP-IBGZPJMESA-N 1 0 391.552 4.248 20 10 GICDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000165179150 823838013 /nfs/dbraw/zinc/83/80/13/823838013.db2.gz KSMXLAPIXZOXKK-AWEZNQCLSA-N 1 0 378.488 4.374 20 10 GICDRO c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000166213283 823872711 /nfs/dbraw/zinc/87/27/11/823872711.db2.gz HKIBXAINBYXCFQ-NZQKXSOJSA-N 1 0 382.573 4.497 20 10 GICDRO Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c2cc(F)ccc2[nH+]1 ZINC000121656002 823223695 /nfs/dbraw/zinc/22/36/95/823223695.db2.gz TVFFBBSWSOPEHY-UHFFFAOYSA-N 1 0 383.442 4.395 20 10 GICDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000176762027 823286437 /nfs/dbraw/zinc/28/64/37/823286437.db2.gz KCAPNZFFXWVMDN-UHFFFAOYSA-N 1 0 376.884 4.098 20 10 GICDRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000122014313 823293396 /nfs/dbraw/zinc/29/33/96/823293396.db2.gz ANQHYRWQGJCJAP-NRFANRHFSA-N 1 0 386.923 4.489 20 10 GICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(OCc2nccn2C)cc1 ZINC000122924768 823434952 /nfs/dbraw/zinc/43/49/52/823434952.db2.gz RFPCVOGNPVFCCL-SFHVURJKSA-N 1 0 390.531 4.232 20 10 GICDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)no1 ZINC000189791380 823495363 /nfs/dbraw/zinc/49/53/63/823495363.db2.gz SXOABHWJIRRXEC-UHFFFAOYSA-N 1 0 393.487 4.447 20 10 GICDRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccsc1 ZINC000031986546 820884734 /nfs/dbraw/zinc/88/47/34/820884734.db2.gz PFTZSWFRTNEHRK-GOSISDBHSA-N 1 0 396.516 4.125 20 10 GICDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000180909594 821530461 /nfs/dbraw/zinc/53/04/61/821530461.db2.gz DDFARTXVXPZEST-GOSISDBHSA-N 1 0 382.504 4.080 20 10 GICDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2cccc3cnccc23)SC1=S ZINC000180924420 821540271 /nfs/dbraw/zinc/54/02/71/821540271.db2.gz GKNKBVBQPGRIOA-LICLKQGHSA-N 1 0 385.558 4.024 20 10 GICDRO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181710099 821954485 /nfs/dbraw/zinc/95/44/85/821954485.db2.gz HUGOMZDLGLSSGF-YDHSSHFGSA-N 1 0 398.522 4.481 20 10 GICDRO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178163420 822338087 /nfs/dbraw/zinc/33/80/87/822338087.db2.gz ZADWOODXMGWEJP-CQSZACIVSA-N 1 0 393.300 4.276 20 10 GICDRO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000178606904 822395880 /nfs/dbraw/zinc/39/58/80/822395880.db2.gz OOWHMJGJLKYRJQ-DFBJGRDBSA-N 1 0 387.527 4.483 20 10 GICDRO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000183536903 822491719 /nfs/dbraw/zinc/49/17/19/822491719.db2.gz QDYZGAWMMUFIDX-ZHRRBRCNSA-N 1 0 381.497 4.236 20 10 GICDRO OCC1CCN(c2ccc(CN[C@@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC000180214956 822640761 /nfs/dbraw/zinc/64/07/61/822640761.db2.gz KHIUBRQRDKOJHM-VWLOTQADSA-N 1 0 387.527 4.170 20 10 GICDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000184887555 822707439 /nfs/dbraw/zinc/70/74/39/822707439.db2.gz PSMZVWIZSMDEQI-SJORKVTESA-N 1 0 390.549 4.143 20 10 GICDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000184887614 822707612 /nfs/dbraw/zinc/70/76/12/822707612.db2.gz PSMZVWIZSMDEQI-DLBZAZTESA-N 1 0 390.549 4.143 20 10 GICDRO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)c1ccccc1 ZINC000184938470 822715791 /nfs/dbraw/zinc/71/57/91/822715791.db2.gz RBGQAAWHSHHDJX-RBISFHTESA-N 1 0 395.524 4.181 20 10 GICDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc2c(cc1O)CCCC2 ZINC000185018620 822725856 /nfs/dbraw/zinc/72/58/56/822725856.db2.gz CDRKOYHZPZZDJI-INIZCTEOSA-N 1 0 396.506 4.366 20 10 GICDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(O)c1 ZINC000185024801 822726677 /nfs/dbraw/zinc/72/66/77/822726677.db2.gz BYWUHSMJLPMXHZ-CQSZACIVSA-N 1 0 379.426 4.434 20 10 GICDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3cc4c(cc3O)CCCC4)cn2)n1 ZINC000185058045 822730441 /nfs/dbraw/zinc/73/04/41/822730441.db2.gz REYXUBFJOMCYPQ-KRWDZBQOSA-N 1 0 376.504 4.319 20 10 GICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c(O)c1 ZINC000185060584 822730846 /nfs/dbraw/zinc/73/08/46/822730846.db2.gz BZBXPZRXPBIIIX-HNNXBMFYSA-N 1 0 394.437 4.407 20 10 GICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c(O)c1 ZINC000185074503 822733197 /nfs/dbraw/zinc/73/31/97/822733197.db2.gz BUHZPYKKRPVNBH-GOSISDBHSA-N 1 0 378.472 4.404 20 10 GICDRO COc1cc(C[NH2+]Cc2cc(C)c(C)cc2O)cc(Br)c1OC ZINC000174355416 822777035 /nfs/dbraw/zinc/77/70/35/822777035.db2.gz GJRSWHFYGWECFO-UHFFFAOYSA-N 1 0 380.282 4.079 20 10 GICDRO C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc2ccccc2c1O ZINC000185498686 822791062 /nfs/dbraw/zinc/79/10/62/822791062.db2.gz ZTAMBDDGEHGALX-LBPRGKRZSA-N 1 0 376.382 4.117 20 10 GICDRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc4ccccc4c3O)CC2)ncn1 ZINC000185642877 822806063 /nfs/dbraw/zinc/80/60/63/822806063.db2.gz OKOVQFRUYDGVPO-INIZCTEOSA-N 1 0 376.504 4.217 20 10 GICDRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185684873 822809918 /nfs/dbraw/zinc/80/99/18/822809918.db2.gz PBTHHOLNUFYLIU-FZMZJTMJSA-N 1 0 379.302 4.055 20 10 GICDRO CC(C)(C)c1cc(C[NH2+]Cc2cccc(OCC(N)=O)c2)c(O)c(C(C)(C)C)c1 ZINC000174604189 822811028 /nfs/dbraw/zinc/81/10/28/822811028.db2.gz UFNPJMAQOGSLIZ-UHFFFAOYSA-N 1 0 398.547 4.141 20 10 GICDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000174621008 822813597 /nfs/dbraw/zinc/81/35/97/822813597.db2.gz FEDLQEXMORDHNX-SFHVURJKSA-N 1 0 389.446 4.005 20 10 GICDRO COc1ccc2nc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)sc2c1 ZINC000187243905 823029695 /nfs/dbraw/zinc/02/96/95/823029695.db2.gz BYOORCSEASOGQY-QGZVFWFLSA-N 1 0 384.501 4.192 20 10 GICDRO CC1CCN(c2ccc(CNC(=O)NC3CC[NH+](C4CCCC4)CC3)cc2)CC1 ZINC000175747538 823031181 /nfs/dbraw/zinc/03/11/81/823031181.db2.gz DFIDNNGKEJANTB-UHFFFAOYSA-N 1 0 398.595 4.129 20 10 GICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124200396 823576703 /nfs/dbraw/zinc/57/67/03/823576703.db2.gz ABRJKQKIUROERI-FQEVSTJZSA-N 1 0 381.568 4.230 20 10 GICDRO Oc1ccc(Br)cc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000124555555 823606082 /nfs/dbraw/zinc/60/60/82/823606082.db2.gz BKHPSIHTIDWPET-IBGZPJMESA-N 1 0 376.294 4.100 20 10 GICDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000125034659 823647017 /nfs/dbraw/zinc/64/70/17/823647017.db2.gz QXCDNONYGCNVJH-HTAPYJJXSA-N 1 0 384.520 4.078 20 10 GICDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000163410130 823707085 /nfs/dbraw/zinc/70/70/85/823707085.db2.gz UTMCJTHFSWPJML-OAHLLOKOSA-N 1 0 394.437 4.401 20 10 GICDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCSCC3)cc1)CCCO2 ZINC000163579160 823724532 /nfs/dbraw/zinc/72/45/32/823724532.db2.gz JFVGDBPMCPFXMC-OAQYLSRUSA-N 1 0 384.545 4.252 20 10 GICDRO CCOc1ccc(O)c(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1 ZINC000126140568 823797778 /nfs/dbraw/zinc/79/77/78/823797778.db2.gz BJCUFSHETLHMRD-UHFFFAOYSA-N 1 0 397.519 4.218 20 10 GICDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000126297556 823833469 /nfs/dbraw/zinc/83/34/69/823833469.db2.gz OBACMSKJWPJFRI-SFHVURJKSA-N 1 0 375.520 4.417 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC(F)(F)F ZINC000165172033 823838161 /nfs/dbraw/zinc/83/81/61/823838161.db2.gz RBGGPCSLWJPEGJ-AWEZNQCLSA-N 1 0 398.400 4.412 20 10 GICDRO Cc1cc(C(=O)NC2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)c(C)o1 ZINC000171045324 824046484 /nfs/dbraw/zinc/04/64/84/824046484.db2.gz VXCSCPYGEBHAKT-UHFFFAOYSA-N 1 0 378.472 4.150 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@H](CN3CCCC3)c3ccccc3)CC2)cc1 ZINC000120832252 823073309 /nfs/dbraw/zinc/07/33/09/823073309.db2.gz ACQDYZMPMLIFDP-XMMPIXPASA-N 1 0 379.548 4.091 20 10 GICDRO C[C@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000121237190 823144856 /nfs/dbraw/zinc/14/48/56/823144856.db2.gz UWHSMQRYNALVPD-SFHVURJKSA-N 1 0 399.604 4.024 20 10 GICDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)NCc1cccs1)Cc1ccccc1O ZINC000176678499 823265775 /nfs/dbraw/zinc/26/57/75/823265775.db2.gz YHVQOANVNPNQJL-KRWDZBQOSA-N 1 0 380.513 4.333 20 10 GICDRO COc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1OC(F)F ZINC000176798894 823295421 /nfs/dbraw/zinc/29/54/21/823295421.db2.gz BFASABSIENIZQT-KRWDZBQOSA-N 1 0 393.430 4.183 20 10 GICDRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000123006810 823447284 /nfs/dbraw/zinc/44/72/84/823447284.db2.gz HDDUPQMFVUQJJN-OFNKIYASSA-N 1 0 382.523 4.459 20 10 GICDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)c1 ZINC000177880829 823540434 /nfs/dbraw/zinc/54/04/34/823540434.db2.gz HWIZFLHDEQVPCK-KRWDZBQOSA-N 1 0 383.511 4.417 20 10 GICDRO COc1ccc([C@H]([NH2+]Cc2cc(OC)c(OC)cc2O)c2ccc(F)cc2)cc1 ZINC000180886426 821513862 /nfs/dbraw/zinc/51/38/62/821513862.db2.gz XDOUGXAZEQCOQF-HSZRJFAPSA-N 1 0 397.446 4.436 20 10 GICDRO COc1ccc([C@@H]([NH2+]Cc2cc(OC)c(OC)cc2O)c2ccc(F)cc2)cc1 ZINC000180886441 821514440 /nfs/dbraw/zinc/51/44/40/821514440.db2.gz XDOUGXAZEQCOQF-QHCPKHFHSA-N 1 0 397.446 4.436 20 10 GICDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000180909578 821530425 /nfs/dbraw/zinc/53/04/25/821530425.db2.gz DDFARTXVXPZEST-SFHVURJKSA-N 1 0 382.504 4.080 20 10 GICDRO C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180974112 821566601 /nfs/dbraw/zinc/56/66/01/821566601.db2.gz YVZQIQAXZLZCGC-QGZVFWFLSA-N 1 0 384.495 4.444 20 10 GICDRO C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180974090 821566788 /nfs/dbraw/zinc/56/67/88/821566788.db2.gz YVZQIQAXZLZCGC-KRWDZBQOSA-N 1 0 384.495 4.444 20 10 GICDRO C[C@@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000181331161 821763897 /nfs/dbraw/zinc/76/38/97/821763897.db2.gz XFPSYHZGHHCHGE-FOIQADDNSA-N 1 0 388.458 4.366 20 10 GICDRO CC[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395722 821805424 /nfs/dbraw/zinc/80/54/24/821805424.db2.gz SURTUGKNLAWEEA-RBUKOAKNSA-N 1 0 377.326 4.289 20 10 GICDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C12CCCCC2 ZINC000181563116 821882622 /nfs/dbraw/zinc/88/26/22/821882622.db2.gz DPTWIGVQWBIMEK-FGZHOGPDSA-N 1 0 390.543 4.004 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)c1 ZINC000182436606 822242301 /nfs/dbraw/zinc/24/23/01/822242301.db2.gz PGOIBYCHJIWRRD-YJYMSZOUSA-N 1 0 376.522 4.017 20 10 GICDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000178168141 822339789 /nfs/dbraw/zinc/33/97/89/822339789.db2.gz FTCOVUHKEFDBKM-QGZVFWFLSA-N 1 0 385.939 4.411 20 10 GICDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)n1 ZINC000183002777 822409100 /nfs/dbraw/zinc/40/91/00/822409100.db2.gz XEQBJBLGQSQNEG-LJQANCHMSA-N 1 0 379.460 4.042 20 10 GICDRO C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1n1ccnc1 ZINC000183124572 822427493 /nfs/dbraw/zinc/42/74/93/822427493.db2.gz KFVCXXLIHXJGPE-GCJKJVERSA-N 1 0 377.488 4.251 20 10 GICDRO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179536407 822499332 /nfs/dbraw/zinc/49/93/32/822499332.db2.gz AGSMFWXQFSEWSN-OAHLLOKOSA-N 1 0 391.556 4.310 20 10 GICDRO CCOCc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1OC ZINC000179569969 822505195 /nfs/dbraw/zinc/50/51/95/822505195.db2.gz ASAXSZIFXYFCIM-NRFANRHFSA-N 1 0 385.504 4.119 20 10 GICDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000184887816 822707599 /nfs/dbraw/zinc/70/75/99/822707599.db2.gz UNANKJFGKNHWPO-IAGOWNOFSA-N 1 0 390.549 4.143 20 10 GICDRO COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)cc(OC)c1OC ZINC000184895147 822709127 /nfs/dbraw/zinc/70/91/27/822709127.db2.gz VWPYDLZCSPFVFG-LLVKDONJSA-N 1 0 396.281 4.031 20 10 GICDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc(Cl)ccc1O ZINC000185018367 822725886 /nfs/dbraw/zinc/72/58/86/822725886.db2.gz FKTMUJDQNUIGNC-ZDUSSCGKSA-N 1 0 376.859 4.140 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000185147823 822742946 /nfs/dbraw/zinc/74/29/46/822742946.db2.gz WCPJVVLGWMLXAV-CYBMUJFWSA-N 1 0 391.393 4.456 20 10 GICDRO COc1cc(Br)c(C[NH2+]Cc2cc(C)c(C)cc2O)cc1OC ZINC000174357085 822777102 /nfs/dbraw/zinc/77/71/02/822777102.db2.gz KCMVRWNVIPZPFB-UHFFFAOYSA-N 1 0 380.282 4.079 20 10 GICDRO CCN(Cc1cc(Br)ccc1O)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000174425706 822788349 /nfs/dbraw/zinc/78/83/49/822788349.db2.gz LOVUYHDXQBYZQD-NSHDSACASA-N 1 0 382.302 4.418 20 10 GICDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000054092870 822862088 /nfs/dbraw/zinc/86/20/88/822862088.db2.gz VXBGZOUFDBZFFD-UHFFFAOYSA-N 1 0 394.563 4.080 20 10 GICDRO CC1(C)OCc2cc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)ccc2O1 ZINC000186250019 822864930 /nfs/dbraw/zinc/86/49/30/822864930.db2.gz QHXOZWUBOYVMGY-FQEVSTJZSA-N 1 0 383.488 4.219 20 10 GICDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1O ZINC000186464892 822899692 /nfs/dbraw/zinc/89/96/92/822899692.db2.gz GFBHQZRBQYXZMV-CQSZACIVSA-N 1 0 392.421 4.366 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000186541660 822910695 /nfs/dbraw/zinc/91/06/95/822910695.db2.gz PXTFYDZTEIVWNL-OAHLLOKOSA-N 1 0 378.513 4.089 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CCSCC1 ZINC000187023881 822999502 /nfs/dbraw/zinc/99/95/02/822999502.db2.gz QMRNDUJQRITLPI-AWEZNQCLSA-N 1 0 388.499 4.163 20 10 GICDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccccc3C(F)(F)F)SC2=S)CC1 ZINC000063824198 823699657 /nfs/dbraw/zinc/69/96/57/823699657.db2.gz PCLWVKLKJVVYLY-UVTDQMKNSA-N 1 0 386.464 4.001 20 10 GICDRO CCCCOc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1 ZINC000063824433 823699771 /nfs/dbraw/zinc/69/97/71/823699771.db2.gz IWQSRWRJNHMQNY-JXAWBTAJSA-N 1 0 390.574 4.161 20 10 GICDRO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 ZINC000163413535 823707478 /nfs/dbraw/zinc/70/74/78/823707478.db2.gz WZNWDUABQJIZIH-HNNXBMFYSA-N 1 0 396.457 4.170 20 10 GICDRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(N2CCCCC2)cc1 ZINC000163747018 823744820 /nfs/dbraw/zinc/74/48/20/823744820.db2.gz PVXRMXKARIFBRS-NRFANRHFSA-N 1 0 393.575 4.360 20 10 GICDRO CCOc1cccc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1O ZINC000126134184 823796141 /nfs/dbraw/zinc/79/61/41/823796141.db2.gz SBWISADQTGKGIG-UHFFFAOYSA-N 1 0 397.519 4.218 20 10 GICDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N(C)C)cc1 ZINC000164993602 823829056 /nfs/dbraw/zinc/82/90/56/823829056.db2.gz FVODQBCKDLJAHN-QGZVFWFLSA-N 1 0 377.488 4.126 20 10 GICDRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000165092019 823833634 /nfs/dbraw/zinc/83/36/34/823833634.db2.gz MZTGBFWIJGVSPQ-GOSISDBHSA-N 1 0 397.538 4.411 20 10 GICDRO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000171045567 824046538 /nfs/dbraw/zinc/04/65/38/824046538.db2.gz IEZKIRCNKNPOLK-UHFFFAOYSA-N 1 0 384.520 4.294 20 10 GICDRO COc1cccc(C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C2CC2)c1 ZINC000121139044 823125118 /nfs/dbraw/zinc/12/51/18/823125118.db2.gz GRIQDCLOTVAMCG-RUZDIDTESA-N 1 0 394.559 4.015 20 10 GICDRO Fc1cc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)ccc1N1CCOCC1 ZINC000176636360 823254446 /nfs/dbraw/zinc/25/44/46/823254446.db2.gz MDEBFHFMAGOVPO-FQEVSTJZSA-N 1 0 382.479 4.198 20 10 GICDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000122429925 823352842 /nfs/dbraw/zinc/35/28/42/823352842.db2.gz NZQIHPZLLYGPMP-CYBMUJFWSA-N 1 0 397.416 4.417 20 10 GICDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)cc2F)CC1 ZINC000189078075 823353232 /nfs/dbraw/zinc/35/32/32/823353232.db2.gz XHVKTWAGIBSOAH-CTNGQTDRSA-N 1 0 382.523 4.288 20 10 GICDRO Cc1cc(O)c(C[NH+]2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1C ZINC000023849105 818985920 /nfs/dbraw/zinc/98/59/20/818985920.db2.gz WYOZNDUJXOBWTQ-KRWDZBQOSA-N 1 0 381.545 4.498 20 10 GICDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cc1 ZINC000177156684 823386081 /nfs/dbraw/zinc/38/60/81/823386081.db2.gz ITZOHWZGOBNWTA-UHFFFAOYSA-N 1 0 388.511 4.382 20 10 GICDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1OCc1ccncc1 ZINC000058474629 823397136 /nfs/dbraw/zinc/39/71/36/823397136.db2.gz BMOVJYPPUYKBFG-UHFFFAOYSA-N 1 0 395.478 4.164 20 10 GICDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc2ncccc2c1 ZINC000123075044 823457576 /nfs/dbraw/zinc/45/75/76/823457576.db2.gz NMVSNWGLJYERGQ-UHFFFAOYSA-N 1 0 386.499 4.019 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(I)cc1 ZINC000037233591 821091432 /nfs/dbraw/zinc/09/14/32/821091432.db2.gz AXNARGRLLKAQEI-ZDUSSCGKSA-N 1 0 380.273 4.208 20 10 GICDRO C[C@@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000181319032 821756812 /nfs/dbraw/zinc/75/68/12/821756812.db2.gz DLOFPMGRQRORQI-OPAMFIHVSA-N 1 0 384.495 4.351 20 10 GICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000181382914 821797622 /nfs/dbraw/zinc/79/76/22/821797622.db2.gz KZOGFCJEQFVJSP-UHFFFAOYSA-N 1 0 380.419 4.082 20 10 GICDRO CC[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395686 821805028 /nfs/dbraw/zinc/80/50/28/821805028.db2.gz SURTUGKNLAWEEA-OALUTQOASA-N 1 0 377.326 4.289 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000182411429 822233417 /nfs/dbraw/zinc/23/34/17/822233417.db2.gz QLLXETPBLLNFJU-AWEZNQCLSA-N 1 0 385.439 4.182 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178472487 822382664 /nfs/dbraw/zinc/38/26/64/822382664.db2.gz LUJPZUOLHCPURQ-AWEZNQCLSA-N 1 0 398.400 4.412 20 10 GICDRO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2ccc(Cl)cc2)C1 ZINC000179765344 822547168 /nfs/dbraw/zinc/54/71/68/822547168.db2.gz DBYANIFFTYSCPL-DHIUTWEWSA-N 1 0 399.966 4.102 20 10 GICDRO CCN(Cc1ccccc1)c1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000179910609 822575405 /nfs/dbraw/zinc/57/54/05/822575405.db2.gz JHNNBFCGPZDMHI-UHFFFAOYSA-N 1 0 391.559 4.204 20 10 GICDRO C[C@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000179968189 822587395 /nfs/dbraw/zinc/58/73/95/822587395.db2.gz ZWUYQIRROFDYMX-YWZLYKJASA-N 1 0 388.458 4.366 20 10 GICDRO COc1ccc(O)c(C[NH+]2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)c1 ZINC000180454938 822685456 /nfs/dbraw/zinc/68/54/56/822685456.db2.gz CHVWQTKSWUMZLK-UHFFFAOYSA-N 1 0 390.524 4.012 20 10 GICDRO C[C@H]([NH2+]Cc1sccc1Br)c1ccc(N2CCOCC2)c(F)c1 ZINC000180480879 822689008 /nfs/dbraw/zinc/68/90/08/822689008.db2.gz IECHCIAXZNNMDI-LBPRGKRZSA-N 1 0 399.329 4.337 20 10 GICDRO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180528981 822696691 /nfs/dbraw/zinc/69/66/91/822696691.db2.gz YXNPIPXBGZNOSQ-HNNXBMFYSA-N 1 0 394.437 4.157 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc2ccccc2c1O ZINC000185033390 822727440 /nfs/dbraw/zinc/72/74/40/822727440.db2.gz GYJQBQXDHAGXDL-IRXDYDNUSA-N 1 0 377.488 4.016 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1O ZINC000185072191 822732837 /nfs/dbraw/zinc/73/28/37/822732837.db2.gz TVVKTNCFRMHTCH-INIZCTEOSA-N 1 0 380.463 4.372 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000185090696 822735604 /nfs/dbraw/zinc/73/56/04/822735604.db2.gz CRASFXIIAGCFRN-KRWDZBQOSA-N 1 0 378.516 4.244 20 10 GICDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C ZINC000174278196 822761834 /nfs/dbraw/zinc/76/18/34/822761834.db2.gz URWBTAVYGAMLNL-UHFFFAOYSA-N 1 0 394.437 4.154 20 10 GICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c(O)c1 ZINC000185306573 822762788 /nfs/dbraw/zinc/76/27/88/822762788.db2.gz VJYCVZGQMXRZLR-ZWKOTPCHSA-N 1 0 381.520 4.369 20 10 GICDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc4ccccc4c3O)CC2)nc(C)n1 ZINC000185655032 822807320 /nfs/dbraw/zinc/80/73/20/822807320.db2.gz YFCAELQYUDFVBU-INIZCTEOSA-N 1 0 376.504 4.272 20 10 GICDRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185683524 822809659 /nfs/dbraw/zinc/80/96/59/822809659.db2.gz QJGDCCHGZMOBDU-FZMZJTMJSA-N 1 0 379.302 4.055 20 10 GICDRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185684925 822809891 /nfs/dbraw/zinc/80/98/91/822809891.db2.gz PBTHHOLNUFYLIU-BXUZGUMPSA-N 1 0 379.302 4.055 20 10 GICDRO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc2ccccc2c1O ZINC000186078766 822849855 /nfs/dbraw/zinc/84/98/55/822849855.db2.gz AKXSNAUAVAHRIV-MRXNPFEDSA-N 1 0 376.456 4.012 20 10 GICDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000186101140 822851761 /nfs/dbraw/zinc/85/17/61/822851761.db2.gz PHNMTSIBPYDJKZ-MSOLQXFVSA-N 1 0 384.520 4.408 20 10 GICDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000186101321 822851854 /nfs/dbraw/zinc/85/18/54/822851854.db2.gz AWOLYWLBGUESHY-ROUUACIJSA-N 1 0 384.520 4.408 20 10 GICDRO COc1ccc(N2CCC[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)CC2)cc1 ZINC000186297505 822872829 /nfs/dbraw/zinc/87/28/29/822872829.db2.gz UAJHVDGFYXSHGB-UHFFFAOYSA-N 1 0 382.504 4.053 20 10 GICDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1O ZINC000186464872 822899573 /nfs/dbraw/zinc/89/95/73/822899573.db2.gz GFBHQZRBQYXZMV-AWEZNQCLSA-N 1 0 392.421 4.366 20 10 GICDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)c1 ZINC000187002752 822995549 /nfs/dbraw/zinc/99/55/49/822995549.db2.gz PVSIPHWHHUMOHW-LBPRGKRZSA-N 1 0 377.282 4.272 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000175752307 823031899 /nfs/dbraw/zinc/03/18/99/823031899.db2.gz WMNXFWWDUPDJFW-OAHLLOKOSA-N 1 0 380.410 4.273 20 10 GICDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c1O ZINC000187294055 823038334 /nfs/dbraw/zinc/03/83/34/823038334.db2.gz LILDYBWMJZAWDR-DOMZBBRYSA-N 1 0 393.329 4.364 20 10 GICDRO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N2CCCCC2)cc1 ZINC000123936771 823553338 /nfs/dbraw/zinc/55/33/38/823553338.db2.gz JOQROLXDNNMAGE-WIYYLYMNSA-N 1 0 377.532 4.412 20 10 GICDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H](C)CC(F)(F)F)C1 ZINC000412676326 823673846 /nfs/dbraw/zinc/67/38/46/823673846.db2.gz MFPHGDMUOCKZCQ-OAHLLOKOSA-N 1 0 395.469 4.113 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@H]3CCSc4ccc(OC)cc43)CC2)cc1 ZINC000191507881 823693233 /nfs/dbraw/zinc/69/32/33/823693233.db2.gz APNFGRNZJZADPG-NRFANRHFSA-N 1 0 384.545 4.499 20 10 GICDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)CC1 ZINC000063824427 823699703 /nfs/dbraw/zinc/69/97/03/823699703.db2.gz MAZXWNBEMIJOHD-ZROIWOOFSA-N 1 0 387.357 4.289 20 10 GICDRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000163596706 823726639 /nfs/dbraw/zinc/72/66/39/823726639.db2.gz DXRGFJWMEAOUDE-GOSISDBHSA-N 1 0 386.561 4.116 20 10 GICDRO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1O ZINC000164204362 823786114 /nfs/dbraw/zinc/78/61/14/823786114.db2.gz TYTLROMMHYRVHZ-SFHVURJKSA-N 1 0 392.293 4.045 20 10 GICDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000165171648 823838194 /nfs/dbraw/zinc/83/81/94/823838194.db2.gz YCHUQLJDGZIRRJ-HNNXBMFYSA-N 1 0 394.437 4.423 20 10 GICDRO OCC1CCN(c2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000166285223 823874370 /nfs/dbraw/zinc/87/43/70/823874370.db2.gz KNKMOTQEJQUNPZ-RCZVLFRGSA-N 1 0 394.559 4.153 20 10 GICDRO COc1ccc(N2CCC([NH2+]CC(C)(C)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000167861219 823897195 /nfs/dbraw/zinc/89/71/95/823897195.db2.gz IOKOQAGLRCPKLD-LJQANCHMSA-N 1 0 381.564 4.383 20 10 GICDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1Br)c1ccccc1O ZINC000121094972 823117519 /nfs/dbraw/zinc/11/75/19/823117519.db2.gz OZCCHGCFSFSTKW-OAHLLOKOSA-N 1 0 380.282 4.413 20 10 GICDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000121184905 823134464 /nfs/dbraw/zinc/13/44/64/823134464.db2.gz KAYJEJFAHKEUAE-VCBZYWHSSA-N 1 0 394.968 4.401 20 10 GICDRO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000121203804 823138315 /nfs/dbraw/zinc/13/83/15/823138315.db2.gz YZLAJCBBWOPXCL-UHFFFAOYSA-N 1 0 377.532 4.025 20 10 GICDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176495012 823220762 /nfs/dbraw/zinc/22/07/62/823220762.db2.gz KUTIQGNXVOYLKV-UHFFFAOYSA-N 1 0 386.584 4.081 20 10 GICDRO C[C@H](c1ccccc1)[N@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccccc1O ZINC000176676040 823264897 /nfs/dbraw/zinc/26/48/97/823264897.db2.gz SKUJVIKYEXRJHW-GOSISDBHSA-N 1 0 385.467 4.164 20 10 GICDRO CCN(Cc1ccccc1)c1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000007125505 817767630 /nfs/dbraw/zinc/76/76/30/817767630.db2.gz LNGGKMUCTKNMPF-QFIPXVFZSA-N 1 0 396.498 4.159 20 10 GICDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000007352861 817822303 /nfs/dbraw/zinc/82/23/03/817822303.db2.gz LODULBKECAAPLN-UHFFFAOYSA-N 1 0 387.527 4.090 20 10 GICDRO Cc1cc(O)c(C[NH+]2CCN(Cc3ccc(Br)s3)CC2)cc1C ZINC000057522429 823306590 /nfs/dbraw/zinc/30/65/90/823306590.db2.gz YISONDUBMZYLHB-UHFFFAOYSA-N 1 0 395.366 4.151 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000122427077 823352377 /nfs/dbraw/zinc/35/23/77/823352377.db2.gz NLLXQXFRMNSLBE-OAHLLOKOSA-N 1 0 391.918 4.233 20 10 GICDRO CCOc1cccc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1O ZINC000122647985 823387433 /nfs/dbraw/zinc/38/74/33/823387433.db2.gz PZDQZETXDFDOBC-HXOBKFHXSA-N 1 0 385.504 4.206 20 10 GICDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122700045 823396882 /nfs/dbraw/zinc/39/68/82/823396882.db2.gz GEFAUYRPAFLWRJ-QVKFZJNVSA-N 1 0 375.896 4.461 20 10 GICDRO Oc1ccc2ccncc2c1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000028890957 820368074 /nfs/dbraw/zinc/36/80/74/820368074.db2.gz YUYPAHRRXKMCIZ-UHFFFAOYSA-N 1 0 387.405 4.281 20 10 GICDRO Cc1cc2oc(=O)cc(C[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)c2cc1C ZINC000123305975 823493545 /nfs/dbraw/zinc/49/35/45/823493545.db2.gz WYOGPPXNOFWULB-GOSISDBHSA-N 1 0 392.499 4.097 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177771716 823523807 /nfs/dbraw/zinc/52/38/07/823523807.db2.gz OQVFTEBDCYCNFU-GOSISDBHSA-N 1 0 393.510 4.307 20 10 GICDRO O=c1[nH]c2ccccc2cc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000123568511 823522228 /nfs/dbraw/zinc/52/22/28/823522228.db2.gz FXQLWYXATXHTRF-UHFFFAOYSA-N 1 0 399.441 4.300 20 10 GICDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000181075799 821620633 /nfs/dbraw/zinc/62/06/33/821620633.db2.gz UNDHHWSCQVGZHQ-LJQANCHMSA-N 1 0 383.536 4.439 20 10 GICDRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(N4CCOCC4)c(F)c3)c21 ZINC000181339469 821770287 /nfs/dbraw/zinc/77/02/87/821770287.db2.gz FLVHJHBXNJUHJD-MRXNPFEDSA-N 1 0 397.494 4.046 20 10 GICDRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000181384109 821798011 /nfs/dbraw/zinc/79/80/11/821798011.db2.gz ASGSWVNISRBXTF-OAHLLOKOSA-N 1 0 391.606 4.044 20 10 GICDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N2CCCCC2)cc1 ZINC000181811878 822002901 /nfs/dbraw/zinc/00/29/01/822002901.db2.gz MIZNPNYSUOKWQI-UNMCSNQZSA-N 1 0 391.559 4.376 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2cccc3ccccc32)c1 ZINC000182338875 822207508 /nfs/dbraw/zinc/20/75/08/822207508.db2.gz WKEGTIQJLMEIEA-HZPDHXFCSA-N 1 0 378.472 4.082 20 10 GICDRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000177963391 822259572 /nfs/dbraw/zinc/25/95/72/822259572.db2.gz YYIKABWNRQZANO-HXUWFJFHSA-N 1 0 379.548 4.364 20 10 GICDRO COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)N4CCC[C@H](C)C4)CC3)c2c1 ZINC000045801796 822414903 /nfs/dbraw/zinc/41/49/03/822414903.db2.gz XDJMTBGDTHLPKF-KRWDZBQOSA-N 1 0 396.531 4.025 20 10 GICDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000045985683 822430486 /nfs/dbraw/zinc/43/04/86/822430486.db2.gz GPPSTMLXGIEAMA-UHFFFAOYSA-N 1 0 394.563 4.080 20 10 GICDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183203104 822440852 /nfs/dbraw/zinc/44/08/52/822440852.db2.gz JOPRYYNUCVXWCG-QGZVFWFLSA-N 1 0 394.494 4.007 20 10 GICDRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180282252 822654636 /nfs/dbraw/zinc/65/46/36/822654636.db2.gz KZXGOTPWUIPVDS-UHFFFAOYSA-N 1 0 376.497 4.110 20 10 GICDRO CCN1CC[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180366141 822670855 /nfs/dbraw/zinc/67/08/55/822670855.db2.gz DWZDPEFYVDOYDX-MJGOQNOKSA-N 1 0 378.875 4.118 20 10 GICDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)cc(OC)c1OC ZINC000184895130 822709175 /nfs/dbraw/zinc/70/91/75/822709175.db2.gz VWPYDLZCSPFVFG-NSHDSACASA-N 1 0 396.281 4.031 20 10 GICDRO CSCC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1nnc2ccccn21 ZINC000184907625 822711339 /nfs/dbraw/zinc/71/13/39/822711339.db2.gz XHBPKFLUTZSJJA-SWLSCSKDSA-N 1 0 376.913 4.233 20 10 GICDRO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(Br)cc1O ZINC000184973596 822720090 /nfs/dbraw/zinc/72/00/90/822720090.db2.gz BIUMKZITRLGGMS-ZDUSSCGKSA-N 1 0 376.298 4.001 20 10 GICDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc2c(cc1O)CCCC2 ZINC000185018636 822725883 /nfs/dbraw/zinc/72/58/83/822725883.db2.gz CDRKOYHZPZZDJI-MRXNPFEDSA-N 1 0 396.506 4.366 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000185024755 822726478 /nfs/dbraw/zinc/72/64/78/822726478.db2.gz FCERIBFOJWOROO-ZDUSSCGKSA-N 1 0 395.425 4.134 20 10 GICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c(O)c1 ZINC000185060570 822730832 /nfs/dbraw/zinc/73/08/32/822730832.db2.gz BZBXPZRXPBIIIX-OAHLLOKOSA-N 1 0 394.437 4.407 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1cc(F)ccc1O ZINC000185074551 822733378 /nfs/dbraw/zinc/73/33/78/822733378.db2.gz CPOOTAZOIHMWRK-INIZCTEOSA-N 1 0 382.435 4.235 20 10 GICDRO C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1O ZINC000185086850 822734947 /nfs/dbraw/zinc/73/49/47/822734947.db2.gz QMWUYPFPRSBGIW-KRWDZBQOSA-N 1 0 383.513 4.201 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185403400 822779446 /nfs/dbraw/zinc/77/94/46/822779446.db2.gz BIVQSWJGWFNPDI-CVEARBPZSA-N 1 0 378.513 4.089 20 10 GICDRO Oc1cc2c(cc1C[NH2+]Cc1ccc(OCc3ccccc3F)cc1)OCO2 ZINC000185424364 822782215 /nfs/dbraw/zinc/78/22/15/822782215.db2.gz QRJUWEUKODOCEX-UHFFFAOYSA-N 1 0 381.403 4.129 20 10 GICDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@@H+]1C ZINC000174392199 822782711 /nfs/dbraw/zinc/78/27/11/822782711.db2.gz LMZDDNMYSGUMQL-GCJKJVERSA-N 1 0 386.584 4.080 20 10 GICDRO CCc1ccc([C@H]([NH2+]Cc2ccccc2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174633728 822815212 /nfs/dbraw/zinc/81/52/12/822815212.db2.gz XAIIFJMQRAYUSP-QHCPKHFHSA-N 1 0 395.524 4.237 20 10 GICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2Cc3cccc(F)c3C2)C1 ZINC000458134037 822961306 /nfs/dbraw/zinc/96/13/06/822961306.db2.gz RYCJWUUHGAMEIK-UHFFFAOYSA-N 1 0 391.490 4.089 20 10 GICDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCSc3nccs3)cs2)c1 ZINC000124256338 823581509 /nfs/dbraw/zinc/58/15/09/823581509.db2.gz SDIFRKBWCISWSM-UHFFFAOYSA-N 1 0 392.531 4.447 20 10 GICDRO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cc(C(C)(C)C)cc(O)c3O)CC2)c1 ZINC000124447769 823597702 /nfs/dbraw/zinc/59/77/02/823597702.db2.gz FFQSKXRYIHXOFJ-UHFFFAOYSA-N 1 0 396.531 4.052 20 10 GICDRO Cc1cc(O)c(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1C(C)C ZINC000124559606 823606353 /nfs/dbraw/zinc/60/63/53/823606353.db2.gz RZHOKYLOCSHUBZ-UHFFFAOYSA-N 1 0 382.533 4.151 20 10 GICDRO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1C(F)(F)F)CC2 ZINC000163403256 823706740 /nfs/dbraw/zinc/70/67/40/823706740.db2.gz HMBZSJJXFWTKSX-HXUWFJFHSA-N 1 0 394.412 4.458 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000163589190 823726247 /nfs/dbraw/zinc/72/62/47/823726247.db2.gz CGRFZPZHRCYDGT-MRXNPFEDSA-N 1 0 395.572 4.320 20 10 GICDRO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000126047572 823774862 /nfs/dbraw/zinc/77/48/62/823774862.db2.gz MRSQTMDQHJVFOD-UHFFFAOYSA-N 1 0 378.447 4.033 20 10 GICDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1O ZINC000164258457 823790402 /nfs/dbraw/zinc/79/04/02/823790402.db2.gz GUBCOBTULAUQMV-INIZCTEOSA-N 1 0 397.450 4.278 20 10 GICDRO Cc1cc(O)c(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1C ZINC000126173317 823805414 /nfs/dbraw/zinc/80/54/14/823805414.db2.gz LHSVJPAESRNZNY-UHFFFAOYSA-N 1 0 381.520 4.436 20 10 GICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000165677314 823858235 /nfs/dbraw/zinc/85/82/35/823858235.db2.gz NFUNQIBFBALSGR-UWJYYQICSA-N 1 0 383.536 4.022 20 10 GICDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)CC1 ZINC000126476930 823878261 /nfs/dbraw/zinc/87/82/61/823878261.db2.gz XRAGAMVIGPIYHE-AQTBWJFISA-N 1 0 384.526 4.242 20 10 GICDRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000126545924 823895246 /nfs/dbraw/zinc/89/52/46/823895246.db2.gz BECALKNTGUODNH-QGZVFWFLSA-N 1 0 385.531 4.027 20 10 GICDRO COc1cccc(C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C2CC2)c1 ZINC000121138942 823125170 /nfs/dbraw/zinc/12/51/70/823125170.db2.gz GRIQDCLOTVAMCG-VWLOTQADSA-N 1 0 394.559 4.015 20 10 GICDRO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000176119906 823126874 /nfs/dbraw/zinc/12/68/74/823126874.db2.gz VMYIAZZFDSRCAZ-MHZLTWQESA-N 1 0 383.513 4.387 20 10 GICDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000121185194 823134333 /nfs/dbraw/zinc/13/43/33/823134333.db2.gz KAYJEJFAHKEUAE-ZRGWGRIASA-N 1 0 394.968 4.401 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@@H](C)CCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000121350207 823168255 /nfs/dbraw/zinc/16/82/55/823168255.db2.gz OJSALELOWXXKBR-KRWDZBQOSA-N 1 0 382.504 4.004 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(N2CCC(O)CC2)cc1 ZINC000121822170 823257754 /nfs/dbraw/zinc/25/77/54/823257754.db2.gz XDTPHOCTWDLNGK-MOPGFXCFSA-N 1 0 390.531 4.245 20 10 GICDRO O=C(C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)N1CCc2ccccc21 ZINC000122615586 823381861 /nfs/dbraw/zinc/38/18/61/823381861.db2.gz HCFDVGVKRNOSQB-UHFFFAOYSA-N 1 0 386.495 4.347 20 10 GICDRO COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1Cn1cccn1 ZINC000122950653 823438895 /nfs/dbraw/zinc/43/88/95/823438895.db2.gz WEVGRFGXKLOOKM-SFHVURJKSA-N 1 0 390.531 4.173 20 10 GICDRO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)c2cc1C ZINC000123305724 823493567 /nfs/dbraw/zinc/49/35/67/823493567.db2.gz WYOGPPXNOFWULB-SFHVURJKSA-N 1 0 392.499 4.097 20 10 GICDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000180994091 821580945 /nfs/dbraw/zinc/58/09/45/821580945.db2.gz UIDWRXLEUDCZGS-DLBZAZTESA-N 1 0 396.510 4.444 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000181527810 821867266 /nfs/dbraw/zinc/86/72/66/821867266.db2.gz AYHDVRKNLNIWCE-OAHLLOKOSA-N 1 0 389.421 4.264 20 10 GICDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C12CCCCC2 ZINC000181563132 821882419 /nfs/dbraw/zinc/88/24/19/821882419.db2.gz DPTWIGVQWBIMEK-YADHBBJMSA-N 1 0 390.543 4.004 20 10 GICDRO C[C@@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181710167 821954463 /nfs/dbraw/zinc/95/44/63/821954463.db2.gz HUGOMZDLGLSSGF-SELNLUPBSA-N 1 0 398.522 4.481 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](C)c2cccc3ccccc32)c1 ZINC000182338831 822207740 /nfs/dbraw/zinc/20/77/40/822207740.db2.gz WKEGTIQJLMEIEA-JKSUJKDBSA-N 1 0 378.472 4.082 20 10 GICDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000178356030 822370687 /nfs/dbraw/zinc/37/06/87/822370687.db2.gz WEKQLXVMGWSMNE-HOTGVXAUSA-N 1 0 388.483 4.091 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178472555 822382601 /nfs/dbraw/zinc/38/26/01/822382601.db2.gz LUJPZUOLHCPURQ-CQSZACIVSA-N 1 0 398.400 4.412 20 10 GICDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)cc1)CCO2 ZINC000178665321 822400859 /nfs/dbraw/zinc/40/08/59/822400859.db2.gz VMSKVLJAAFLQPW-JTSKRJEESA-N 1 0 382.504 4.096 20 10 GICDRO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000178666007 822401130 /nfs/dbraw/zinc/40/11/30/822401130.db2.gz WPHFWBVEDDIYHF-HOTGVXAUSA-N 1 0 388.483 4.091 20 10 GICDRO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000183536938 822491740 /nfs/dbraw/zinc/49/17/40/822491740.db2.gz QDYZGAWMMUFIDX-OPAMFIHVSA-N 1 0 381.497 4.236 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000183737233 822519439 /nfs/dbraw/zinc/51/94/39/822519439.db2.gz KCLUEPQQHFIVRO-GOSISDBHSA-N 1 0 379.504 4.484 20 10 GICDRO Cc1c(-c2cc(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)on2)cnn1C ZINC000184412137 822630148 /nfs/dbraw/zinc/63/01/48/822630148.db2.gz LIJOOQJUGQFONN-UHFFFAOYSA-N 1 0 379.508 4.006 20 10 GICDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(N(C)C)cc1 ZINC000184537123 822653355 /nfs/dbraw/zinc/65/33/55/822653355.db2.gz FPOFKBILAJXMRR-PKTZIBPZSA-N 1 0 383.511 4.426 20 10 GICDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc2ccccc2c1O ZINC000184853089 822700578 /nfs/dbraw/zinc/70/05/78/822700578.db2.gz YRNBQEDPEUSBJF-UZLBHIALSA-N 1 0 382.529 4.331 20 10 GICDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc2ccccc2c1O ZINC000184894309 822708941 /nfs/dbraw/zinc/70/89/41/822708941.db2.gz TYTDZSUKMDNCCJ-GOSISDBHSA-N 1 0 376.500 4.228 20 10 GICDRO CSCC[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1nnc2ccccn21 ZINC000184908221 822711570 /nfs/dbraw/zinc/71/15/70/822711570.db2.gz RPBOPCBIXZFZBK-HNAYVOBHSA-N 1 0 396.560 4.459 20 10 GICDRO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)c1ccccc1 ZINC000184938531 822715872 /nfs/dbraw/zinc/71/58/72/822715872.db2.gz RBGQAAWHSHHDJX-DFHRPNOPSA-N 1 0 395.524 4.181 20 10 GICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000185060496 822730887 /nfs/dbraw/zinc/73/08/87/822730887.db2.gz SEDUEMQQVJJVEC-HNNXBMFYSA-N 1 0 394.437 4.407 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c1 ZINC000185074464 822733220 /nfs/dbraw/zinc/73/32/20/822733220.db2.gz CWMSWJYMQCUZOK-KRWDZBQOSA-N 1 0 394.471 4.104 20 10 GICDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185306741 822763013 /nfs/dbraw/zinc/76/30/13/822763013.db2.gz BPGSNYINYYELBG-HOTGVXAUSA-N 1 0 385.483 4.199 20 10 GICDRO Cc1ccc(O)c(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000174470744 822794513 /nfs/dbraw/zinc/79/45/13/822794513.db2.gz PLJHUYNNIWYQLP-UHFFFAOYSA-N 1 0 376.294 4.259 20 10 GICDRO CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1cc(Br)ccc1O ZINC000186092858 822850832 /nfs/dbraw/zinc/85/08/32/822850832.db2.gz NHLLBWAJJAYZBN-QGZVFWFLSA-N 1 0 377.282 4.354 20 10 GICDRO CC1(C)OCc2cc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)ccc2O1 ZINC000186250040 822864858 /nfs/dbraw/zinc/86/48/58/822864858.db2.gz QHXOZWUBOYVMGY-HXUWFJFHSA-N 1 0 383.488 4.219 20 10 GICDRO COc1ccc(O)c([C@H](C)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000186267723 822867314 /nfs/dbraw/zinc/86/73/14/822867314.db2.gz MNAZCFILTKRSNG-KRWDZBQOSA-N 1 0 397.519 4.388 20 10 GICDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1C(C)C ZINC000054545913 822894541 /nfs/dbraw/zinc/89/45/41/822894541.db2.gz HLWCIRLIAIOCAQ-UHFFFAOYSA-N 1 0 398.522 4.492 20 10 GICDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000187202620 823024383 /nfs/dbraw/zinc/02/43/83/823024383.db2.gz AXFVCJUJMSALEX-NEPJUHHUSA-N 1 0 392.297 4.366 20 10 GICDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCC(CO)CC3)cc1)CCS2 ZINC000191500656 823692168 /nfs/dbraw/zinc/69/21/68/823692168.db2.gz UUPWRCUDCJQKLJ-QFIPXVFZSA-N 1 0 398.572 4.231 20 10 GICDRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000191560774 823699711 /nfs/dbraw/zinc/69/97/11/823699711.db2.gz TVVSGECVJOCVOP-MRXNPFEDSA-N 1 0 387.549 4.203 20 10 GICDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1OC ZINC000163583748 823725169 /nfs/dbraw/zinc/72/51/69/823725169.db2.gz TWVREUFEXZRVRU-QGZVFWFLSA-N 1 0 386.561 4.416 20 10 GICDRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000163596577 823726724 /nfs/dbraw/zinc/72/67/24/823726724.db2.gz DXRGFJWMEAOUDE-SFHVURJKSA-N 1 0 386.561 4.116 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000163628368 823729664 /nfs/dbraw/zinc/72/96/64/823729664.db2.gz BNSPOJVNEFJYSL-GOSISDBHSA-N 1 0 395.572 4.217 20 10 GICDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCN(C)[C@H]3c3cccs3)CC2)cc1 ZINC000164978686 823828173 /nfs/dbraw/zinc/82/81/73/823828173.db2.gz HLVGNNWFXWODMU-WZONZLPQSA-N 1 0 399.604 4.398 20 10 GICDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000165173695 823838119 /nfs/dbraw/zinc/83/81/19/823838119.db2.gz YGBQBNAFERMHQN-AWEZNQCLSA-N 1 0 377.529 4.401 20 10 GICDRO COc1cccc(CNc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)c1O ZINC000126904896 823977936 /nfs/dbraw/zinc/97/79/36/823977936.db2.gz JKLBPWMFIRUIGZ-UHFFFAOYSA-N 1 0 397.519 4.218 20 10 GICDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000127130871 824023327 /nfs/dbraw/zinc/02/33/27/824023327.db2.gz CUHMSDJYQSYGPE-LJQANCHMSA-N 1 0 375.520 4.451 20 10 GICDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc(F)c(F)cc3Cl)c2)CC1 ZINC000122258589 823328733 /nfs/dbraw/zinc/32/87/33/823328733.db2.gz DHIOPMUHESCDLT-UHFFFAOYSA-N 1 0 393.865 4.401 20 10 GICDRO COc1ccc(N2CCC([NH2+]Cc3cccc(NC(=O)C4CCC4)c3)CC2)cc1 ZINC000122460274 823357773 /nfs/dbraw/zinc/35/77/73/823357773.db2.gz KRBOOUABMTXDOR-UHFFFAOYSA-N 1 0 393.531 4.192 20 10 GICDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000177255815 823410909 /nfs/dbraw/zinc/41/09/09/823410909.db2.gz GBULSPQWSABIRX-OALUTQOASA-N 1 0 376.504 4.121 20 10 GICDRO [O-]c1c(Br)cccc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123937619 823553257 /nfs/dbraw/zinc/55/32/57/823553257.db2.gz QKHAXEBEPYQPLI-UHFFFAOYSA-N 1 0 390.306 4.006 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(I)cc1 ZINC000037233593 821091513 /nfs/dbraw/zinc/09/15/13/821091513.db2.gz AXNARGRLLKAQEI-CYBMUJFWSA-N 1 0 380.273 4.208 20 10 GICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000181236355 821712331 /nfs/dbraw/zinc/71/23/31/821712331.db2.gz XWQIIPHWSMEEAD-HOTGVXAUSA-N 1 0 387.455 4.291 20 10 GICDRO C[C@@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000181319069 821756822 /nfs/dbraw/zinc/75/68/22/821756822.db2.gz DLOFPMGRQRORQI-ZHRRBRCNSA-N 1 0 384.495 4.351 20 10 GICDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1Br ZINC000182109236 822097061 /nfs/dbraw/zinc/09/70/61/822097061.db2.gz MEEIHVZGGVQURK-SNVBAGLBSA-N 1 0 396.256 4.356 20 10 GICDRO COc1ccccc1[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000182203339 822145526 /nfs/dbraw/zinc/14/55/26/822145526.db2.gz PZVXBRXEVSRHNE-QHCPKHFHSA-N 1 0 379.456 4.297 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)c1 ZINC000182435723 822242329 /nfs/dbraw/zinc/24/23/29/822242329.db2.gz ONDRNZDIGZJBKK-OAHLLOKOSA-N 1 0 388.483 4.018 20 10 GICDRO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000178194239 822348868 /nfs/dbraw/zinc/34/88/68/822348868.db2.gz JUOXVTCZLKPIQY-CTNGQTDRSA-N 1 0 379.552 4.177 20 10 GICDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000178536487 822389240 /nfs/dbraw/zinc/38/92/40/822389240.db2.gz QTKMVOZRQRZRBQ-QGZVFWFLSA-N 1 0 386.511 4.426 20 10 GICDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)cc1)CCO2 ZINC000178665335 822400921 /nfs/dbraw/zinc/40/09/21/822400921.db2.gz VMSKVLJAAFLQPW-VGOFRKELSA-N 1 0 382.504 4.096 20 10 GICDRO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000178666032 822401070 /nfs/dbraw/zinc/40/10/70/822401070.db2.gz WPHFWBVEDDIYHF-JKSUJKDBSA-N 1 0 388.483 4.091 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1O ZINC000183428981 822473724 /nfs/dbraw/zinc/47/37/24/822473724.db2.gz MIPRYYLFKBFXGB-CQSZACIVSA-N 1 0 380.410 4.098 20 10 GICDRO COc1cc(-c2noc(CCCCC[NH2+][C@H](C)c3ccccc3O)n2)ccc1O ZINC000183605254 822500396 /nfs/dbraw/zinc/50/03/96/822500396.db2.gz NEQUTFAWFKVCBV-OAHLLOKOSA-N 1 0 397.475 4.220 20 10 GICDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)COCc1ccco1 ZINC000179642918 822518668 /nfs/dbraw/zinc/51/86/68/822518668.db2.gz CQFKTCXIYHJJTB-RXVVDRJESA-N 1 0 381.472 4.126 20 10 GICDRO c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000179776575 822550666 /nfs/dbraw/zinc/55/06/66/822550666.db2.gz UZVLFIYDJMIELD-FQEVSTJZSA-N 1 0 375.520 4.099 20 10 GICDRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000179876000 822569763 /nfs/dbraw/zinc/56/97/63/822569763.db2.gz GYPQIVJCLJKTEG-UHFFFAOYSA-N 1 0 379.504 4.458 20 10 GICDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)c1 ZINC000179912728 822575890 /nfs/dbraw/zinc/57/58/90/822575890.db2.gz ZQBSUHWACOZWMS-INIZCTEOSA-N 1 0 394.471 4.234 20 10 GICDRO COc1ccc(O)c(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000180090142 822613296 /nfs/dbraw/zinc/61/32/96/822613296.db2.gz KMUKBEZRMUPOQV-UHFFFAOYSA-N 1 0 380.419 4.082 20 10 GICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184514825 822648640 /nfs/dbraw/zinc/64/86/40/822648640.db2.gz RUPGMWFYNGOPQS-WAIKUNEKSA-N 1 0 383.511 4.426 20 10 GICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184514846 822648845 /nfs/dbraw/zinc/64/88/45/822648845.db2.gz RUPGMWFYNGOPQS-QMHKHESXSA-N 1 0 383.511 4.426 20 10 GICDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000180278668 822653483 /nfs/dbraw/zinc/65/34/83/822653483.db2.gz QDUIHKPJBNARAL-UHFFFAOYSA-N 1 0 397.441 4.448 20 10 GICDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2O)N2CCOCC2)o1 ZINC000184909552 822711521 /nfs/dbraw/zinc/71/15/21/822711521.db2.gz HFZZZNANLJVKEJ-UWJYYQICSA-N 1 0 380.488 4.171 20 10 GICDRO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(Br)cc1O ZINC000184973614 822720115 /nfs/dbraw/zinc/72/01/15/822720115.db2.gz BIUMKZITRLGGMS-CYBMUJFWSA-N 1 0 376.298 4.001 20 10 GICDRO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1cc2c(cc1O)CCCC2 ZINC000184988109 822722365 /nfs/dbraw/zinc/72/23/65/822722365.db2.gz GASXAWPEIUJZSE-KRWDZBQOSA-N 1 0 378.516 4.244 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc2ccccc2c1O ZINC000185031277 822727269 /nfs/dbraw/zinc/72/72/69/822727269.db2.gz RFFOSRNCQANHTR-KSZLIROESA-N 1 0 391.515 4.405 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)ccc1O ZINC000185060634 822730905 /nfs/dbraw/zinc/73/09/05/822730905.db2.gz GOCOEKDVQZPZBJ-CYBMUJFWSA-N 1 0 398.400 4.238 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1cc(F)ccc1O ZINC000185074567 822733399 /nfs/dbraw/zinc/73/33/99/822733399.db2.gz CPOOTAZOIHMWRK-MRXNPFEDSA-N 1 0 382.435 4.235 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2ccccc2c1O ZINC000185118331 822739342 /nfs/dbraw/zinc/73/93/42/822739342.db2.gz KXYBGCIAICXNBP-INIZCTEOSA-N 1 0 394.490 4.496 20 10 GICDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cc(C)ccc3O)CC2)cc1 ZINC000185171179 822745200 /nfs/dbraw/zinc/74/52/00/822745200.db2.gz JLFHDYLAEXQJIL-QGZVFWFLSA-N 1 0 382.504 4.055 20 10 GICDRO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3cc(F)ccc3O)CC2)cs1 ZINC000185423440 822782044 /nfs/dbraw/zinc/78/20/44/822782044.db2.gz PPNWAWKHQLWLND-CQSZACIVSA-N 1 0 377.529 4.113 20 10 GICDRO C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1cc2c(cc1O)CCCC2 ZINC000186020721 822844386 /nfs/dbraw/zinc/84/43/86/822844386.db2.gz CPMHBGDWGJBHFS-KRWDZBQOSA-N 1 0 378.516 4.244 20 10 GICDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000186101419 822851888 /nfs/dbraw/zinc/85/18/88/822851888.db2.gz GBRHHEXGHRYTQT-HZPDHXFCSA-N 1 0 388.483 4.238 20 10 GICDRO O=C(Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1)c1ccc(F)cc1 ZINC000054176138 822866056 /nfs/dbraw/zinc/86/60/56/822866056.db2.gz RMZZCHLQBNZJIW-UHFFFAOYSA-N 1 0 376.431 4.303 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000186323212 822876191 /nfs/dbraw/zinc/87/61/91/822876191.db2.gz YYDBOWCOPNUVQQ-IXFSTUDKSA-N 1 0 385.527 4.004 20 10 GICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCc4c(cccc4NC(C)=O)C3)c2c1 ZINC000054571909 822896501 /nfs/dbraw/zinc/89/65/01/822896501.db2.gz STPKYVPTLGYYII-UHFFFAOYSA-N 1 0 376.456 4.071 20 10 GICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(CCC3)[C@@H]2C2CC2)C1 ZINC000460980305 823555062 /nfs/dbraw/zinc/55/50/62/823555062.db2.gz OAUSBKARZKVKGL-DEOSSOPVSA-N 1 0 391.559 4.199 20 10 GICDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000190849428 823616324 /nfs/dbraw/zinc/61/63/24/823616324.db2.gz RUQMUKHPCANXFI-UHFFFAOYSA-N 1 0 396.428 4.404 20 10 GICDRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2n1 ZINC000125003223 823644145 /nfs/dbraw/zinc/64/41/45/823644145.db2.gz WKIIIFUCNZVZTQ-MRXNPFEDSA-N 1 0 395.478 4.070 20 10 GICDRO C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N(C)C)cc1 ZINC000164993479 823829114 /nfs/dbraw/zinc/82/91/14/823829114.db2.gz FVODQBCKDLJAHN-KRWDZBQOSA-N 1 0 377.488 4.126 20 10 GICDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccc(F)cc2O1 ZINC000165184889 823838578 /nfs/dbraw/zinc/83/85/78/823838578.db2.gz KJPKJIHFLNORHN-IBGZPJMESA-N 1 0 388.458 4.193 20 10 GICDRO CCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000165186604 823838677 /nfs/dbraw/zinc/83/86/77/823838677.db2.gz SRQPZNVKHXHAIS-FQEVSTJZSA-N 1 0 387.455 4.202 20 10 GICDRO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000168603210 823905180 /nfs/dbraw/zinc/90/51/80/823905180.db2.gz QOACSCPGROHIAR-MRXNPFEDSA-N 1 0 376.447 4.284 20 10 GICDRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(N2CCCCCC2)cc1 ZINC000126675699 823925014 /nfs/dbraw/zinc/92/50/14/823925014.db2.gz XPQOIINAGYURII-LJQANCHMSA-N 1 0 381.568 4.278 20 10 GICDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000170896204 824002359 /nfs/dbraw/zinc/00/23/59/824002359.db2.gz LUNZICYSZVTBCW-QFIPXVFZSA-N 1 0 398.595 4.084 20 10 GICDRO Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1O ZINC000187448740 823065495 /nfs/dbraw/zinc/06/54/95/823065495.db2.gz XMPHKCXYERIOSC-UHFFFAOYSA-N 1 0 392.421 4.114 20 10 GICDRO OC1CCN(c2ccc(C[NH2+]CCCCCOc3ccccc3)cc2F)CC1 ZINC000187709584 823117499 /nfs/dbraw/zinc/11/74/99/823117499.db2.gz PEAWONXAOPWKOY-UHFFFAOYSA-N 1 0 386.511 4.126 20 10 GICDRO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000176119924 823126733 /nfs/dbraw/zinc/12/67/33/823126733.db2.gz VMYIAZZFDSRCAZ-HHHXNRCGSA-N 1 0 383.513 4.387 20 10 GICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000176496758 823221518 /nfs/dbraw/zinc/22/15/18/823221518.db2.gz ZEGUQIULSVFHCJ-QGZVFWFLSA-N 1 0 396.531 4.037 20 10 GICDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122013349 823293242 /nfs/dbraw/zinc/29/32/42/823293242.db2.gz WANKCLBLYIDLHY-QHCPKHFHSA-N 1 0 378.516 4.015 20 10 GICDRO Cc1cccc2nc(C3CC[NH+](Cc4ccc(N5CCOCC5)cc4)CC3)oc21 ZINC000188886076 823323043 /nfs/dbraw/zinc/32/30/43/823323043.db2.gz FMORVPDDBIISAW-UHFFFAOYSA-N 1 0 391.515 4.352 20 10 GICDRO Cc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)n1-c1ccccn1 ZINC000177236286 823406827 /nfs/dbraw/zinc/40/68/27/823406827.db2.gz HPCKEQSSCXPFQF-UHFFFAOYSA-N 1 0 380.536 4.016 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-n2cncn2)cc1Cl ZINC000122941534 823437136 /nfs/dbraw/zinc/43/71/36/823437136.db2.gz VIRHSJFKAOCTHN-OAHLLOKOSA-N 1 0 381.911 4.154 20 10 GICDRO COc1ccc2ccc(O)c(C[NH+]3CCC(Oc4ccc(F)nc4)CC3)c2c1 ZINC000189829889 823503161 /nfs/dbraw/zinc/50/31/61/823503161.db2.gz XUVPLKPAUFAIOU-UHFFFAOYSA-N 1 0 382.435 4.132 20 10 GICDRO Brc1cccc(C2([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000123729691 823535470 /nfs/dbraw/zinc/53/54/70/823535470.db2.gz RGPGDGCBSFHUMZ-UHFFFAOYSA-N 1 0 387.321 4.065 20 10 GICDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1OCC ZINC000181397253 821805693 /nfs/dbraw/zinc/80/56/93/821805693.db2.gz RNQQTGSCHGYNEU-CYBMUJFWSA-N 1 0 375.440 4.382 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000181527789 821867324 /nfs/dbraw/zinc/86/73/24/821867324.db2.gz AYHDVRKNLNIWCE-HNNXBMFYSA-N 1 0 389.421 4.264 20 10 GICDRO COc1ccc(O)c(C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000182194214 822141097 /nfs/dbraw/zinc/14/10/97/822141097.db2.gz GPTVHQTWDKLSNR-NRFANRHFSA-N 1 0 391.446 4.421 20 10 GICDRO COc1ccc(-c2ccc(C[NH2+]Cc3cc(OC)c(OC)cc3O)cc2)cc1 ZINC000182220354 822153393 /nfs/dbraw/zinc/15/33/93/822153393.db2.gz RUTAHOHGWSYCFP-UHFFFAOYSA-N 1 0 379.456 4.375 20 10 GICDRO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)c3cc(OC)ccc3O)cs2)cc1 ZINC000182333865 822205497 /nfs/dbraw/zinc/20/54/97/822205497.db2.gz QDYSPLSRODZZQI-ZDUSSCGKSA-N 1 0 398.484 4.162 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)c1 ZINC000182436585 822242370 /nfs/dbraw/zinc/24/23/70/822242370.db2.gz PGOIBYCHJIWRRD-DJJJIMSYSA-N 1 0 376.522 4.017 20 10 GICDRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000182537404 822289448 /nfs/dbraw/zinc/28/94/48/822289448.db2.gz UGGFXWISKNWIDK-UHFFFAOYSA-N 1 0 398.595 4.106 20 10 GICDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)cc1)CCO2 ZINC000178665347 822400897 /nfs/dbraw/zinc/40/08/97/822400897.db2.gz VMSKVLJAAFLQPW-VGSWGCGISA-N 1 0 382.504 4.096 20 10 GICDRO Cc1cc2cc(/C=C3\SC(=S)N(C4CC[NH+](C)CC4)C3=O)oc2cc1C ZINC000178714941 822405119 /nfs/dbraw/zinc/40/51/19/822405119.db2.gz FZIGZWJVFUMLMG-WQRHYEAKSA-N 1 0 386.542 4.345 20 10 GICDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000183160189 822433294 /nfs/dbraw/zinc/43/32/94/822433294.db2.gz XTPNNNKGJXZLEJ-SIKLNZKXSA-N 1 0 385.529 4.116 20 10 GICDRO C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000183536921 822491683 /nfs/dbraw/zinc/49/16/83/822491683.db2.gz QDYZGAWMMUFIDX-KSFYIVLOSA-N 1 0 381.497 4.236 20 10 GICDRO c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000179776562 822550621 /nfs/dbraw/zinc/55/06/21/822550621.db2.gz UZVLFIYDJMIELD-HXUWFJFHSA-N 1 0 375.520 4.099 20 10 GICDRO COc1cc(O)c(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)cc1OC ZINC000180053331 822605049 /nfs/dbraw/zinc/60/50/49/822605049.db2.gz AQWOODSTXQXYEA-UHFFFAOYSA-N 1 0 378.472 4.315 20 10 GICDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)c2ccc(F)cc2C1 ZINC000184515235 822648856 /nfs/dbraw/zinc/64/88/56/822648856.db2.gz KMLQHURVYQXKRQ-HXPMCKFVSA-N 1 0 376.859 4.329 20 10 GICDRO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(N(C)C)cc1 ZINC000184537101 822653351 /nfs/dbraw/zinc/65/33/51/822653351.db2.gz FPOFKBILAJXMRR-GOTSBHOMSA-N 1 0 383.511 4.426 20 10 GICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c1 ZINC000185074375 822733164 /nfs/dbraw/zinc/73/31/64/822733164.db2.gz JIEVULGLTFRIHB-GOSISDBHSA-N 1 0 378.472 4.404 20 10 GICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c1 ZINC000185074395 822733212 /nfs/dbraw/zinc/73/32/12/822733212.db2.gz JIEVULGLTFRIHB-SFHVURJKSA-N 1 0 378.472 4.404 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000185306486 822762799 /nfs/dbraw/zinc/76/27/99/822762799.db2.gz JXSGOKUJGGQJHX-IRXDYDNUSA-N 1 0 397.519 4.069 20 10 GICDRO Oc1ccc(Br)cc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000174647756 822817259 /nfs/dbraw/zinc/81/72/59/822817259.db2.gz LKHWWIXNMGZQSS-UHFFFAOYSA-N 1 0 380.257 4.089 20 10 GICDRO COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)c3cc(OC)ccc3O)CCN2C2CC2)c1 ZINC000186503798 822905895 /nfs/dbraw/zinc/90/58/95/822905895.db2.gz DRRFCZLJXKCZQH-YCASGBEESA-N 1 0 382.504 4.038 20 10 GICDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)c1 ZINC000187002737 822995556 /nfs/dbraw/zinc/99/55/56/822995556.db2.gz PVSIPHWHHUMOHW-GFCCVEGCSA-N 1 0 377.282 4.272 20 10 GICDRO CCC[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000124744860 823622946 /nfs/dbraw/zinc/62/29/46/823622946.db2.gz RKZDNAZWDDOTFO-UHFFFAOYSA-N 1 0 397.538 4.409 20 10 GICDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000124885510 823633792 /nfs/dbraw/zinc/63/37/92/823633792.db2.gz HPVMUFIJEVKNIP-LJQANCHMSA-N 1 0 395.547 4.043 20 10 GICDRO COc1ccc(N2CCC([NH2+]C3CCN([C@H](C)c4ccccc4)CC3)CC2)cc1 ZINC000125123357 823653275 /nfs/dbraw/zinc/65/32/75/823653275.db2.gz UYUZCUVQHMZKAC-HXUWFJFHSA-N 1 0 393.575 4.479 20 10 GICDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163339921 823702492 /nfs/dbraw/zinc/70/24/92/823702492.db2.gz UQUJPQYZOYBHIQ-CABCVRRESA-N 1 0 376.447 4.222 20 10 GICDRO COCc1cc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)ccc1OC ZINC000163616671 823728228 /nfs/dbraw/zinc/72/82/28/823728228.db2.gz LHWOFLGDBOQWPI-KRWDZBQOSA-N 1 0 386.561 4.246 20 10 GICDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1NC(C)=O ZINC000163619477 823728620 /nfs/dbraw/zinc/72/86/20/823728620.db2.gz VQFNWJLVCUZSEL-INIZCTEOSA-N 1 0 399.560 4.058 20 10 GICDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCN(C)[C@H]3c3cccs3)CC2)cc1 ZINC000164978777 823828114 /nfs/dbraw/zinc/82/81/14/823828114.db2.gz HLVGNNWFXWODMU-FDDCHVKYSA-N 1 0 399.604 4.398 20 10 GICDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000165194831 823839540 /nfs/dbraw/zinc/83/95/40/823839540.db2.gz QDRUBPNQQBWACX-AWEZNQCLSA-N 1 0 378.875 4.175 20 10 GICDRO COc1ccc(N2CCC([NH2+]C3CCN(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000165370576 823845999 /nfs/dbraw/zinc/84/59/99/823845999.db2.gz RMANUSRFWKWVDY-UHFFFAOYSA-N 1 0 397.538 4.057 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OCc3ccccc3F)nc2)c1 ZINC000187426828 823061573 /nfs/dbraw/zinc/06/15/73/823061573.db2.gz BPMYBMXVJHLIJG-HNNXBMFYSA-N 1 0 382.435 4.365 20 10 GICDRO C[N@H+](Cc1cnc(-c2cccs2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000121314125 823161255 /nfs/dbraw/zinc/16/12/55/823161255.db2.gz ZCGKLRRIAHRQCH-UHFFFAOYSA-N 1 0 385.558 4.340 20 10 GICDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000121381134 823174114 /nfs/dbraw/zinc/17/41/14/823174114.db2.gz AMOKNOBSDWSYAG-UHFFFAOYSA-N 1 0 381.520 4.089 20 10 GICDRO COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000058474527 823397103 /nfs/dbraw/zinc/39/71/03/823397103.db2.gz PIEZDZYAGBZQCJ-UHFFFAOYSA-N 1 0 395.478 4.164 20 10 GICDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1Cn1cccn1 ZINC000122950909 823438882 /nfs/dbraw/zinc/43/88/82/823438882.db2.gz WEVGRFGXKLOOKM-GOSISDBHSA-N 1 0 390.531 4.173 20 10 GICDRO c1csc(SCCC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000123142994 823469275 /nfs/dbraw/zinc/46/92/75/823469275.db2.gz SSHHUQHMWAATPA-UHFFFAOYSA-N 1 0 391.543 4.267 20 10 GICDRO COc1ccc(O)c(C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000182194235 822141026 /nfs/dbraw/zinc/14/10/26/822141026.db2.gz GPTVHQTWDKLSNR-OAQYLSRUSA-N 1 0 391.446 4.421 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cccc(-c3csc(C)n3)c2)c1 ZINC000182327812 822203581 /nfs/dbraw/zinc/20/35/81/822203581.db2.gz WSHGXPFEDJAZGX-CYBMUJFWSA-N 1 0 397.500 4.122 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000182467741 822254752 /nfs/dbraw/zinc/25/47/52/822254752.db2.gz NSUFTYRQYDAKTG-INIZCTEOSA-N 1 0 392.455 4.482 20 10 GICDRO C[C@@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000177951288 822254841 /nfs/dbraw/zinc/25/48/41/822254841.db2.gz CEHZRVNMKJKTBV-AUUYWEPGSA-N 1 0 390.886 4.490 20 10 GICDRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000177963378 822259741 /nfs/dbraw/zinc/25/97/41/822259741.db2.gz YYIKABWNRQZANO-FQEVSTJZSA-N 1 0 379.548 4.364 20 10 GICDRO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000178606914 822396006 /nfs/dbraw/zinc/39/60/06/822396006.db2.gz OOWHMJGJLKYRJQ-CLOONOSVSA-N 1 0 387.527 4.483 20 10 GICDRO CCOCc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)ccc1OC ZINC000179464570 822486527 /nfs/dbraw/zinc/48/65/27/822486527.db2.gz BXFLTKAOAKSXMM-UHFFFAOYSA-N 1 0 391.458 4.305 20 10 GICDRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000179766775 822548029 /nfs/dbraw/zinc/54/80/29/822548029.db2.gz BSABLYPVKBBRON-UHFFFAOYSA-N 1 0 393.531 4.233 20 10 GICDRO COc1ccc([C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C(C)C)cc1 ZINC000180045421 822603723 /nfs/dbraw/zinc/60/37/23/822603723.db2.gz USQXGNLJNPVILQ-HSZRJFAPSA-N 1 0 386.511 4.282 20 10 GICDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)CC1 ZINC000184280173 822607932 /nfs/dbraw/zinc/60/79/32/822607932.db2.gz KQZNFPMUEIUTLZ-UHFFFAOYSA-N 1 0 377.410 4.100 20 10 GICDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000184285206 822608788 /nfs/dbraw/zinc/60/87/88/822608788.db2.gz ICPFAJAXPNHXDR-OAHLLOKOSA-N 1 0 379.426 4.096 20 10 GICDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(N(C)C)cc1 ZINC000184537062 822653106 /nfs/dbraw/zinc/65/31/06/822653106.db2.gz FPOFKBILAJXMRR-XZOQPEGZSA-N 1 0 383.511 4.426 20 10 GICDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750515 822681296 /nfs/dbraw/zinc/68/12/96/822681296.db2.gz IBGDDFJHYZCKCX-NRFANRHFSA-N 1 0 396.531 4.246 20 10 GICDRO Oc1cc2c(cc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)OCO2 ZINC000180509675 822693805 /nfs/dbraw/zinc/69/38/05/822693805.db2.gz DEWXGPMMFABPOQ-WBVHZDCISA-N 1 0 375.490 4.051 20 10 GICDRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc2ccccc2c1O ZINC000184853109 822700643 /nfs/dbraw/zinc/70/06/43/822700643.db2.gz YRNBQEDPEUSBJF-OXJNMPFZSA-N 1 0 382.529 4.331 20 10 GICDRO C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000184984878 822721815 /nfs/dbraw/zinc/72/18/15/822721815.db2.gz AEKVTHQTSVUELN-CYBMUJFWSA-N 1 0 380.410 4.458 20 10 GICDRO COc1cccc(Oc2ccc(C[NH2+][C@@H](C)c3cc(OC)ccc3O)cn2)c1 ZINC000185057400 822730326 /nfs/dbraw/zinc/73/03/26/822730326.db2.gz CTHWVVIAAXWMSA-HNNXBMFYSA-N 1 0 380.444 4.448 20 10 GICDRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc2ccccc2c1O ZINC000185063326 822731295 /nfs/dbraw/zinc/73/12/95/822731295.db2.gz GGITUZVGFJGENB-GOSISDBHSA-N 1 0 376.500 4.228 20 10 GICDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185172684 822745386 /nfs/dbraw/zinc/74/53/86/822745386.db2.gz ALYNCUXENLFRFV-QGZVFWFLSA-N 1 0 378.516 4.226 20 10 GICDRO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1)c1ccccc1 ZINC000185259941 822755913 /nfs/dbraw/zinc/75/59/13/822755913.db2.gz XSISMGLOHDUTSO-UTKZUKDTSA-N 1 0 396.531 4.236 20 10 GICDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185362557 822771863 /nfs/dbraw/zinc/77/18/63/822771863.db2.gz JBOFGTDCWJUKPS-HOTGVXAUSA-N 1 0 389.490 4.224 20 10 GICDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000174574831 822807103 /nfs/dbraw/zinc/80/71/03/822807103.db2.gz ZWXYZIWYWODTJU-UHFFFAOYSA-N 1 0 388.511 4.489 20 10 GICDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc4ccccc4c3O)CC2)nc(C)n1 ZINC000185655050 822807348 /nfs/dbraw/zinc/80/73/48/822807348.db2.gz YFCAELQYUDFVBU-MRXNPFEDSA-N 1 0 376.504 4.272 20 10 GICDRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185684889 822809912 /nfs/dbraw/zinc/80/99/12/822809912.db2.gz PBTHHOLNUFYLIU-SMDDNHRTSA-N 1 0 379.302 4.055 20 10 GICDRO CCc1ccc([C@@H]([NH2+]Cc2ccccc2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174633742 822815144 /nfs/dbraw/zinc/81/51/44/822815144.db2.gz XAIIFJMQRAYUSP-HSZRJFAPSA-N 1 0 395.524 4.237 20 10 GICDRO CC1(C(=O)NCCCSc2nccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000163559122 823721420 /nfs/dbraw/zinc/72/14/20/823721420.db2.gz RBDVPDGUPFSTKW-UHFFFAOYSA-N 1 0 389.590 4.044 20 10 GICDRO COc1cccc([C@@H]2C[N@H+](Cc3c(O)ccc4ccc(OC)cc43)CCO2)c1 ZINC000166126555 823870159 /nfs/dbraw/zinc/87/01/59/823870159.db2.gz RRUDQMFEDCGEDW-QHCPKHFHSA-N 1 0 379.456 4.136 20 10 GICDRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2ccccc2O)c2cccs2)CC1 ZINC000126780322 823949521 /nfs/dbraw/zinc/94/95/21/823949521.db2.gz CERUWDNITRZRDC-GOSISDBHSA-N 1 0 387.549 4.068 20 10 GICDRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000126807223 823956422 /nfs/dbraw/zinc/95/64/22/823956422.db2.gz GRSUQJFOQNTGNV-PXNSSMCTSA-N 1 0 387.543 4.258 20 10 GICDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000192624720 824048799 /nfs/dbraw/zinc/04/87/99/824048799.db2.gz QLTKKZQXDRYIBW-UHFFFAOYSA-N 1 0 394.563 4.080 20 10 GICDRO CCOc1ccccc1C(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000359972823 206274622 /nfs/dbraw/zinc/27/46/22/206274622.db2.gz HAFUUBFIRBJPQY-KRWDZBQOSA-N 1 0 382.504 4.055 20 10 GICDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H](O)COc1ccccc1Cl ZINC000121024814 823104709 /nfs/dbraw/zinc/10/47/09/823104709.db2.gz WJCBRFGGLRAORE-KRWDZBQOSA-N 1 0 387.863 4.081 20 10 GICDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)cc2F)CC1 ZINC000189078122 823353355 /nfs/dbraw/zinc/35/33/55/823353355.db2.gz XHVKTWAGIBSOAH-TZIWHRDSSA-N 1 0 382.523 4.288 20 10 GICDRO COc1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 ZINC000022790266 818860770 /nfs/dbraw/zinc/86/07/70/818860770.db2.gz ZARWHUVIFPYNGW-VWLOTQADSA-N 1 0 388.511 4.411 20 10 GICDRO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1Cl ZINC000122713580 823399027 /nfs/dbraw/zinc/39/90/27/823399027.db2.gz DCWMJYINXJCULQ-AWEZNQCLSA-N 1 0 380.319 4.118 20 10 GICDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000181074339 821619958 /nfs/dbraw/zinc/61/99/58/821619958.db2.gz DOIRZLNJVWWMMV-KRWDZBQOSA-N 1 0 387.499 4.188 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000182381607 822222541 /nfs/dbraw/zinc/22/25/41/822222541.db2.gz CSUQBOXSWKHFRV-HOTGVXAUSA-N 1 0 378.472 4.082 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000182468251 822254602 /nfs/dbraw/zinc/25/46/02/822254602.db2.gz WVDOKQWFLYDCIQ-KRWDZBQOSA-N 1 0 390.483 4.281 20 10 GICDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000178168132 822339743 /nfs/dbraw/zinc/33/97/43/822339743.db2.gz FTCOVUHKEFDBKM-KRWDZBQOSA-N 1 0 385.939 4.411 20 10 GICDRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000178234617 822357280 /nfs/dbraw/zinc/35/72/80/822357280.db2.gz GNJCEUHCKGVUOJ-HXUWFJFHSA-N 1 0 378.564 4.387 20 10 GICDRO CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(N4CCCC4)cc3)CC2)CC1 ZINC000178971155 822425439 /nfs/dbraw/zinc/42/54/39/822425439.db2.gz HKKCJEBNWWJBBS-UHFFFAOYSA-N 1 0 398.595 4.129 20 10 GICDRO C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1n1ccnc1 ZINC000183124594 822427549 /nfs/dbraw/zinc/42/75/49/822427549.db2.gz KFVCXXLIHXJGPE-AVRDEDQJSA-N 1 0 377.488 4.251 20 10 GICDRO C[C@@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccccc1O ZINC000183475344 822481196 /nfs/dbraw/zinc/48/11/96/822481196.db2.gz MIYWLJKJMJNWEN-DNVCBOLYSA-N 1 0 394.437 4.135 20 10 GICDRO Oc1ccccc1C[N@@H+](Cc1c(C2CC2)nc2sccn12)C[C@@H]1CCCO1 ZINC000183512892 822488344 /nfs/dbraw/zinc/48/83/44/822488344.db2.gz YNTSTEKRLZNUJB-KRWDZBQOSA-N 1 0 383.517 4.160 20 10 GICDRO Cc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000180060539 822606450 /nfs/dbraw/zinc/60/64/50/822606450.db2.gz ICUMZOPTHVDJFO-UHFFFAOYSA-N 1 0 382.401 4.279 20 10 GICDRO C[C@@H]([NH2+]Cc1sccc1Br)c1ccc(N2CCOCC2)c(F)c1 ZINC000180480898 822688961 /nfs/dbraw/zinc/68/89/61/822688961.db2.gz IECHCIAXZNNMDI-GFCCVEGCSA-N 1 0 399.329 4.337 20 10 GICDRO Oc1ccc(F)cc1C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000180513503 822694394 /nfs/dbraw/zinc/69/43/94/822694394.db2.gz FTXPEQTYQNFCTH-UHFFFAOYSA-N 1 0 383.385 4.388 20 10 GICDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc3ccccc3c2O)N2CCOCC2)o1 ZINC000184909584 822711836 /nfs/dbraw/zinc/71/18/36/822711836.db2.gz HFZZZNANLJVKEJ-UTKZUKDTSA-N 1 0 380.488 4.171 20 10 GICDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1cc2c(cc1O)CCCC2 ZINC000184988128 822722296 /nfs/dbraw/zinc/72/22/96/822722296.db2.gz GASXAWPEIUJZSE-QGZVFWFLSA-N 1 0 378.516 4.244 20 10 GICDRO C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)ccc1O ZINC000185024927 822726682 /nfs/dbraw/zinc/72/66/82/822726682.db2.gz SSSPERBIFWDPLR-GFCCVEGCSA-N 1 0 383.389 4.265 20 10 GICDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000185077795 822733859 /nfs/dbraw/zinc/73/38/59/822733859.db2.gz HTEFDHCLBWOVSK-ZDUSSCGKSA-N 1 0 397.357 4.233 20 10 GICDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185306761 822763003 /nfs/dbraw/zinc/76/30/03/822763003.db2.gz BPGSNYINYYELBG-CVEARBPZSA-N 1 0 385.483 4.199 20 10 GICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c(O)c1 ZINC000185306629 822763024 /nfs/dbraw/zinc/76/30/24/822763024.db2.gz VJYCVZGQMXRZLR-MSOLQXFVSA-N 1 0 381.520 4.369 20 10 GICDRO CCOc1cccc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1O ZINC000174291983 822764509 /nfs/dbraw/zinc/76/45/09/822764509.db2.gz UKERGLCWRYYJEJ-UHFFFAOYSA-N 1 0 397.519 4.218 20 10 GICDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185362533 822771841 /nfs/dbraw/zinc/77/18/41/822771841.db2.gz JBOFGTDCWJUKPS-JKSUJKDBSA-N 1 0 389.490 4.224 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185403418 822779455 /nfs/dbraw/zinc/77/94/55/822779455.db2.gz BIVQSWJGWFNPDI-JKSUJKDBSA-N 1 0 378.513 4.089 20 10 GICDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000185416515 822781085 /nfs/dbraw/zinc/78/10/85/822781085.db2.gz INIVRHOPOAXNCW-VWLOTQADSA-N 1 0 388.511 4.013 20 10 GICDRO COc1cccc(Oc2ncccc2C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000185535977 822794385 /nfs/dbraw/zinc/79/43/85/822794385.db2.gz ZONJIXIQLBDHGV-OAHLLOKOSA-N 1 0 380.444 4.448 20 10 GICDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000186101197 822851697 /nfs/dbraw/zinc/85/16/97/822851697.db2.gz PHNMTSIBPYDJKZ-ZWKOTPCHSA-N 1 0 384.520 4.408 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 ZINC000186145215 822855489 /nfs/dbraw/zinc/85/54/89/822855489.db2.gz HXUJHXQCIHALPG-QZMQVMSPSA-N 1 0 385.504 4.377 20 10 GICDRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cc(Br)ccc1O ZINC000186357938 822881413 /nfs/dbraw/zinc/88/14/13/822881413.db2.gz BCDMYHBDXGEBKC-ISWZSGDOSA-N 1 0 391.309 4.031 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(OC(F)(F)F)c1 ZINC000175752861 823032093 /nfs/dbraw/zinc/03/20/93/823032093.db2.gz LGLVGBTYFADEPX-AWEZNQCLSA-N 1 0 398.400 4.412 20 10 GICDRO c1ccc(CCN2CCC([NH2+]Cc3ccc(N4CCSCC4)cc3)CC2)cc1 ZINC000163594899 823726769 /nfs/dbraw/zinc/72/67/69/823726769.db2.gz KPHMBYIULDLJDI-UHFFFAOYSA-N 1 0 395.616 4.037 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000163628233 823729690 /nfs/dbraw/zinc/72/96/90/823729690.db2.gz BNSPOJVNEFJYSL-SFHVURJKSA-N 1 0 395.572 4.217 20 10 GICDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000191852660 823796268 /nfs/dbraw/zinc/79/62/68/823796268.db2.gz JLTMOALMOIUHMB-NYDSKATKSA-N 1 0 384.495 4.091 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1F ZINC000126136379 823796544 /nfs/dbraw/zinc/79/65/44/823796544.db2.gz ZPOWKJZWPKPOHV-CQSZACIVSA-N 1 0 393.300 4.276 20 10 GICDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000165186715 823838977 /nfs/dbraw/zinc/83/89/77/823838977.db2.gz SRQPZNVKHXHAIS-HXUWFJFHSA-N 1 0 387.455 4.202 20 10 GICDRO c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000166213410 823872534 /nfs/dbraw/zinc/87/25/34/823872534.db2.gz HKIBXAINBYXCFQ-REWPJTCUSA-N 1 0 382.573 4.497 20 10 GICDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000167785263 823895179 /nfs/dbraw/zinc/89/51/79/823895179.db2.gz ZYZIXVGESWUGPE-IRXDYDNUSA-N 1 0 385.527 4.265 20 10 GICDRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000126545680 823895346 /nfs/dbraw/zinc/89/53/46/823895346.db2.gz BECALKNTGUODNH-KRWDZBQOSA-N 1 0 385.531 4.027 20 10 GICDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCN(Cc4cccs4)C3)CC2)cc1 ZINC000126831815 823962265 /nfs/dbraw/zinc/96/22/65/823962265.db2.gz DUGQCCLMBUAXNL-IBGZPJMESA-N 1 0 399.604 4.227 20 10 GICDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000187379919 823052715 /nfs/dbraw/zinc/05/27/15/823052715.db2.gz KRDFVIWGZCSRRB-HACGYAERSA-N 1 0 386.355 4.168 20 10 GICDRO O=C(C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1)N1CCCCCC1 ZINC000121027602 823105287 /nfs/dbraw/zinc/10/52/87/823105287.db2.gz ZEDDQONBJLCYBY-UHFFFAOYSA-N 1 0 383.580 4.292 20 10 GICDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000187822549 823140248 /nfs/dbraw/zinc/14/02/48/823140248.db2.gz LSUQWKKVHVQDDO-RDPSFJRHSA-N 1 0 382.523 4.387 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000121877262 823268443 /nfs/dbraw/zinc/26/84/43/823268443.db2.gz GGFRWCVTPYEZPN-MSOLQXFVSA-N 1 0 394.494 4.260 20 10 GICDRO COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)c2c1 ZINC000008190834 818015510 /nfs/dbraw/zinc/01/55/10/818015510.db2.gz FGKIDGXUAJRENA-UHFFFAOYSA-N 1 0 390.483 4.405 20 10 GICDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1 ZINC000122689247 823395252 /nfs/dbraw/zinc/39/52/52/823395252.db2.gz KLQTVZSOGBAOSB-UZUQRXQVSA-N 1 0 385.504 4.206 20 10 GICDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122699799 823397005 /nfs/dbraw/zinc/39/70/05/823397005.db2.gz GEFAUYRPAFLWRJ-YCRPNKLZSA-N 1 0 375.896 4.461 20 10 GICDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000058476939 823397675 /nfs/dbraw/zinc/39/76/75/823397675.db2.gz GOUXBXTVMNJRTH-UHFFFAOYSA-N 1 0 396.485 4.440 20 10 GICDRO Cc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000025810697 820027405 /nfs/dbraw/zinc/02/74/05/820027405.db2.gz IDXVNJZUHAGRSM-FQEVSTJZSA-N 1 0 385.508 4.327 20 10 GICDRO Cn1cc([C@H]2CSCC[N@@H+]2Cc2c3c(ccc2O)oc2c3CCCC2)cn1 ZINC000189873852 823508665 /nfs/dbraw/zinc/50/86/65/823508665.db2.gz VACFMWYYSAKZHJ-QGZVFWFLSA-N 1 0 383.517 4.041 20 10 GICDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1OC ZINC000180697038 821400550 /nfs/dbraw/zinc/40/05/50/821400550.db2.gz QAZUBXCGSRCBFH-PMACEKPBSA-N 1 0 385.504 4.278 20 10 GICDRO COc1cc(O)c(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)cc1OC ZINC000180711096 821409902 /nfs/dbraw/zinc/40/99/02/821409902.db2.gz ZUFARMPWUBUBBJ-FQEVSTJZSA-N 1 0 399.512 4.207 20 10 GICDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)c1 ZINC000180911351 821532573 /nfs/dbraw/zinc/53/25/73/821532573.db2.gz CABHOPGYWDBDBX-LJQANCHMSA-N 1 0 396.531 4.470 20 10 GICDRO C[C@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000181319051 821756670 /nfs/dbraw/zinc/75/66/70/821756670.db2.gz DLOFPMGRQRORQI-AOMKIAJQSA-N 1 0 384.495 4.351 20 10 GICDRO C[C@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000181331140 821764078 /nfs/dbraw/zinc/76/40/78/821764078.db2.gz XFPSYHZGHHCHGE-MGPUTAFESA-N 1 0 388.458 4.366 20 10 GICDRO CC[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395705 821805140 /nfs/dbraw/zinc/80/51/40/821805140.db2.gz SURTUGKNLAWEEA-MOPGFXCFSA-N 1 0 377.326 4.289 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000182381657 822222715 /nfs/dbraw/zinc/22/27/15/822222715.db2.gz CSUQBOXSWKHFRV-HZPDHXFCSA-N 1 0 378.472 4.082 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Br)c(OC)c(OC)c2)c1 ZINC000182433791 822241241 /nfs/dbraw/zinc/24/12/41/822241241.db2.gz SRPMCEQFGJSWRL-LLVKDONJSA-N 1 0 396.281 4.031 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178281577 822362798 /nfs/dbraw/zinc/36/27/98/822362798.db2.gz SFUPIZGJOBIIKK-AWEZNQCLSA-N 1 0 380.410 4.115 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc2ccccc2n1 ZINC000178538571 822389498 /nfs/dbraw/zinc/38/94/98/822389498.db2.gz JBQLWPFYMAOVCL-GOSISDBHSA-N 1 0 375.516 4.294 20 10 GICDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000178665605 822400949 /nfs/dbraw/zinc/40/09/49/822400949.db2.gz ITWVDNPBFCHUEY-OALUTQOASA-N 1 0 376.504 4.121 20 10 GICDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)n1 ZINC000183002797 822409177 /nfs/dbraw/zinc/40/91/77/822409177.db2.gz XEQBJBLGQSQNEG-IBGZPJMESA-N 1 0 379.460 4.042 20 10 GICDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000183023843 822413086 /nfs/dbraw/zinc/41/30/86/822413086.db2.gz JCTGZCILYBFHCA-QHCPKHFHSA-N 1 0 397.515 4.131 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179405620 822478250 /nfs/dbraw/zinc/47/82/50/822478250.db2.gz HTDNEACAAJGCIH-INIZCTEOSA-N 1 0 385.577 4.081 20 10 GICDRO Fc1ccc(Oc2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cn2)cc1 ZINC000048741520 822680524 /nfs/dbraw/zinc/68/05/24/822680524.db2.gz NSUKYBPKDNXRQA-UHFFFAOYSA-N 1 0 393.462 4.139 20 10 GICDRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000180448810 822684112 /nfs/dbraw/zinc/68/41/12/822684112.db2.gz JUDLKQONKCQUOS-GOSISDBHSA-N 1 0 381.520 4.365 20 10 GICDRO CSCC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1nnc2ccccn21 ZINC000184907587 822711257 /nfs/dbraw/zinc/71/12/57/822711257.db2.gz XHBPKFLUTZSJJA-WFASDCNBSA-N 1 0 376.913 4.233 20 10 GICDRO C[S@](=O)C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)c1ccccc1 ZINC000184938492 822715842 /nfs/dbraw/zinc/71/58/42/822715842.db2.gz RBGQAAWHSHHDJX-DWACAAAGSA-N 1 0 395.524 4.181 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)c1 ZINC000184983844 822721662 /nfs/dbraw/zinc/72/16/62/822721662.db2.gz QRYZHYYUNSEDGN-GFCCVEGCSA-N 1 0 385.382 4.201 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1O ZINC000184984374 822721739 /nfs/dbraw/zinc/72/17/39/822721739.db2.gz AWXBMZDNUYPMBK-ZDUSSCGKSA-N 1 0 376.298 4.001 20 10 GICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000185024658 822726435 /nfs/dbraw/zinc/72/64/35/822726435.db2.gz HXSGQCWMSMQPLT-CQSZACIVSA-N 1 0 379.426 4.434 20 10 GICDRO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185049174 822729296 /nfs/dbraw/zinc/72/92/96/822729296.db2.gz MAPWFGBWFLKDMF-JTSKRJEESA-N 1 0 378.516 4.285 20 10 GICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)c(OC)c1OC ZINC000185067328 822731921 /nfs/dbraw/zinc/73/19/21/822731921.db2.gz JJLMVRWOLURYRU-NSHDSACASA-N 1 0 396.281 4.031 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000185147805 822742968 /nfs/dbraw/zinc/74/29/68/822742968.db2.gz WCPJVVLGWMLXAV-ZDUSSCGKSA-N 1 0 391.393 4.456 20 10 GICDRO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1)c1ccccc1 ZINC000185259963 822755899 /nfs/dbraw/zinc/75/58/99/822755899.db2.gz XSISMGLOHDUTSO-DYESRHJHSA-N 1 0 396.531 4.236 20 10 GICDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2C1 ZINC000185350884 822769609 /nfs/dbraw/zinc/76/96/09/822769609.db2.gz WAEWMFUMGVGWJR-DEOSSOPVSA-N 1 0 395.522 4.399 20 10 GICDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000185416497 822780998 /nfs/dbraw/zinc/78/09/98/822780998.db2.gz INIVRHOPOAXNCW-RUZDIDTESA-N 1 0 388.511 4.013 20 10 GICDRO CN(C)c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000174470119 822794508 /nfs/dbraw/zinc/79/45/08/822794508.db2.gz HWEAJDNNSVHZKF-UHFFFAOYSA-N 1 0 389.337 4.311 20 10 GICDRO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000185593818 822800152 /nfs/dbraw/zinc/80/01/52/822800152.db2.gz IJFBJRCSDGHFPI-QRQCRPRQSA-N 1 0 399.487 4.375 20 10 GICDRO COc1ccc(N2CCC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000052466251 822800726 /nfs/dbraw/zinc/80/07/26/822800726.db2.gz SPPHLMOPRDGORY-UHFFFAOYSA-N 1 0 381.451 4.202 20 10 GICDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)c2ccc(F)cc2C1 ZINC000185604033 822801129 /nfs/dbraw/zinc/80/11/29/822801129.db2.gz UMKLUTYGAQKFJF-LJQANCHMSA-N 1 0 376.859 4.076 20 10 GICDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174631626 822814895 /nfs/dbraw/zinc/81/48/95/822814895.db2.gz JMRUFZCLXYRRBI-QHCPKHFHSA-N 1 0 394.540 4.035 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)c1 ZINC000185758832 822818401 /nfs/dbraw/zinc/81/84/01/822818401.db2.gz MTYOKEBCRMKJRC-XDHUDOTRSA-N 1 0 393.483 4.364 20 10 GICDRO COc1ccc(O)c([C@@H](C)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000186267747 822867394 /nfs/dbraw/zinc/86/73/94/822867394.db2.gz MNAZCFILTKRSNG-QGZVFWFLSA-N 1 0 397.519 4.388 20 10 GICDRO Oc1ccc2cc(Br)ccc2c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000054495171 822890703 /nfs/dbraw/zinc/89/07/03/822890703.db2.gz IVFKDWDJIJHJFO-ZDUSSCGKSA-N 1 0 376.294 4.309 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(OC(F)(F)F)c1 ZINC000175752878 823032062 /nfs/dbraw/zinc/03/20/62/823032062.db2.gz LGLVGBTYFADEPX-CQSZACIVSA-N 1 0 398.400 4.412 20 10 GICDRO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177902957 823544211 /nfs/dbraw/zinc/54/42/11/823544211.db2.gz DQBCUSZTCNBIGN-KRWDZBQOSA-N 1 0 379.483 4.248 20 10 GICDRO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N2CCCCC2)cc1 ZINC000123936624 823553344 /nfs/dbraw/zinc/55/33/44/823553344.db2.gz JOQROLXDNNMAGE-GHTZIAJQSA-N 1 0 377.532 4.412 20 10 GICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(C3CC3)ccn2)C1 ZINC000461433113 823636288 /nfs/dbraw/zinc/63/62/88/823636288.db2.gz POOOWEFFOLBCMR-UHFFFAOYSA-N 1 0 388.515 4.319 20 10 GICDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](C)CC(F)(F)F)C1 ZINC000412676310 823673784 /nfs/dbraw/zinc/67/37/84/823673784.db2.gz MFPHGDMUOCKZCQ-HNNXBMFYSA-N 1 0 395.469 4.113 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@@H]3CCSc4ccc(OC)cc43)CC2)cc1 ZINC000191507864 823693214 /nfs/dbraw/zinc/69/32/14/823693214.db2.gz APNFGRNZJZADPG-OAQYLSRUSA-N 1 0 384.545 4.499 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000163622532 823728507 /nfs/dbraw/zinc/72/85/07/823728507.db2.gz GOXNNHRQGPGCMQ-IBGZPJMESA-N 1 0 392.572 4.335 20 10 GICDRO CC[C@@H]([NH2+][C@H](CCSC)c1nnc2ccccn21)c1ccc(N(C)C)cc1 ZINC000164261930 823790951 /nfs/dbraw/zinc/79/09/51/823790951.db2.gz PFNQFPOFSBHFAX-RTBURBONSA-N 1 0 383.565 4.330 20 10 GICDRO CC[C@@H]([NH2+][C@@H](CCSC)c1nnc2ccccn21)c1ccc(N(C)C)cc1 ZINC000164261701 823791078 /nfs/dbraw/zinc/79/10/78/823791078.db2.gz PFNQFPOFSBHFAX-MOPGFXCFSA-N 1 0 383.565 4.330 20 10 GICDRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCCCC2)cc1 ZINC000165079752 823833175 /nfs/dbraw/zinc/83/31/75/823833175.db2.gz IXAISYWZWVMZSY-LJQANCHMSA-N 1 0 379.548 4.272 20 10 GICDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000126297832 823833394 /nfs/dbraw/zinc/83/33/94/823833394.db2.gz OBACMSKJWPJFRI-GOSISDBHSA-N 1 0 375.520 4.417 20 10 GICDRO c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000166213528 823872944 /nfs/dbraw/zinc/87/29/44/823872944.db2.gz HKIBXAINBYXCFQ-NFBKMPQASA-N 1 0 382.573 4.497 20 10 GICDRO Cn1c(=O)sc2cc(C[N@H+](Cc3ccco3)Cc3ccccc3O)ccc21 ZINC000192615041 824046331 /nfs/dbraw/zinc/04/63/31/824046331.db2.gz ZSJHCDSDQJTZRK-UHFFFAOYSA-N 1 0 380.469 4.101 20 10 GICDRO CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000188438617 823241084 /nfs/dbraw/zinc/24/10/84/823241084.db2.gz LRMZNYMNJDLCRV-UHFFFAOYSA-N 1 0 391.559 4.205 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1-n1cccn1 ZINC000121877406 823268633 /nfs/dbraw/zinc/26/86/33/823268633.db2.gz GGFRWCVTPYEZPN-ZWKOTPCHSA-N 1 0 394.494 4.260 20 10 GICDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)cc2F)CC1 ZINC000189078048 823353401 /nfs/dbraw/zinc/35/34/01/823353401.db2.gz XHVKTWAGIBSOAH-FPOVZHCZSA-N 1 0 382.523 4.288 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000182467662 822254780 /nfs/dbraw/zinc/25/47/80/822254780.db2.gz JCWDXWBXIMHMIJ-LLVKDONJSA-N 1 0 382.432 4.005 20 10 GICDRO COc1cccc(C([NH2+]Cc2cc(OC)ccc2O)c2cccc(OC)c2)c1 ZINC000182527267 822284436 /nfs/dbraw/zinc/28/44/36/822284436.db2.gz YYACODIJDGRKEL-UHFFFAOYSA-N 1 0 379.456 4.297 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2ccccc2n1 ZINC000178536420 822389192 /nfs/dbraw/zinc/38/91/92/822389192.db2.gz NOMFNYBHJVJOHF-INIZCTEOSA-N 1 0 379.479 4.186 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178741965 822406431 /nfs/dbraw/zinc/40/64/31/822406431.db2.gz BXWVKRLVVDBDNJ-QGZVFWFLSA-N 1 0 379.483 4.248 20 10 GICDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)Cc1ccccc1O ZINC000045780810 822413038 /nfs/dbraw/zinc/41/30/38/822413038.db2.gz JEBXHRUBGCNDEZ-SFHVURJKSA-N 1 0 381.520 4.108 20 10 GICDRO COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)c2c1 ZINC000045801795 822414786 /nfs/dbraw/zinc/41/47/86/822414786.db2.gz XDJMTBGDTHLPKF-QGZVFWFLSA-N 1 0 396.531 4.025 20 10 GICDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000179113179 822439704 /nfs/dbraw/zinc/43/97/04/822439704.db2.gz IWFHPXLYFZHBKF-UHFFFAOYSA-N 1 0 398.595 4.084 20 10 GICDRO Cc1ccc(O)c(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000179420468 822479951 /nfs/dbraw/zinc/47/99/51/822479951.db2.gz IWLWKHLJAZARRL-UHFFFAOYSA-N 1 0 390.483 4.388 20 10 GICDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000179515947 822494910 /nfs/dbraw/zinc/49/49/10/822494910.db2.gz QZVSVEJDIVWEGD-RTBURBONSA-N 1 0 390.531 4.126 20 10 GICDRO Cc1cccc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000179718167 822534242 /nfs/dbraw/zinc/53/42/42/822534242.db2.gz IZTOGGZESKQTIP-UHFFFAOYSA-N 1 0 390.483 4.388 20 10 GICDRO COc1cc(O)c(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1OC ZINC000179769560 822549024 /nfs/dbraw/zinc/54/90/24/822549024.db2.gz VXAQHVHIPYPXNZ-UHFFFAOYSA-N 1 0 382.435 4.319 20 10 GICDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000184887574 822707401 /nfs/dbraw/zinc/70/74/01/822707401.db2.gz PSMZVWIZSMDEQI-IRXDYDNUSA-N 1 0 390.549 4.143 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc2ccccc2c1O ZINC000185109430 822738221 /nfs/dbraw/zinc/73/82/21/822738221.db2.gz QBOGNLTVLYPEQD-JKSUJKDBSA-N 1 0 398.528 4.208 20 10 GICDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C)cc3O)CC2)cc1 ZINC000185171287 822745161 /nfs/dbraw/zinc/74/51/61/822745161.db2.gz TZBPLHKGWKJMMZ-KRWDZBQOSA-N 1 0 382.504 4.055 20 10 GICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000185306329 822762817 /nfs/dbraw/zinc/76/28/17/822762817.db2.gz ZPBUDWMGDUXHJP-ROUUACIJSA-N 1 0 381.520 4.369 20 10 GICDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1cc(F)ccc1O ZINC000185447386 822785407 /nfs/dbraw/zinc/78/54/07/822785407.db2.gz MJQKAKPOJSUOMK-OAHLLOKOSA-N 1 0 394.450 4.099 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000185570620 822797656 /nfs/dbraw/zinc/79/76/56/822797656.db2.gz OGJCFASUKOLQLQ-KXBFYZLASA-N 1 0 386.492 4.317 20 10 GICDRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185683539 822809794 /nfs/dbraw/zinc/80/97/94/822809794.db2.gz QJGDCCHGZMOBDU-SMDDNHRTSA-N 1 0 379.302 4.055 20 10 GICDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000186164430 822857323 /nfs/dbraw/zinc/85/73/23/822857323.db2.gz SINFYLLDBRUGJS-WMZOPIPTSA-N 1 0 383.513 4.449 20 10 GICDRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2)cc1 ZINC000054175471 822865915 /nfs/dbraw/zinc/86/59/15/822865915.db2.gz BDELRIVNKBGPAX-UHFFFAOYSA-N 1 0 386.495 4.150 20 10 GICDRO COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)ccc1OCc1ccncc1 ZINC000054175860 822866082 /nfs/dbraw/zinc/86/60/82/822866082.db2.gz KJWFZXTVMRJCOX-KRWDZBQOSA-N 1 0 390.483 4.455 20 10 GICDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000187202566 823024396 /nfs/dbraw/zinc/02/43/96/823024396.db2.gz AXFVCJUJMSALEX-NWDGAFQWSA-N 1 0 392.297 4.366 20 10 GICDRO Oc1ccc(Br)cc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000124555781 823606281 /nfs/dbraw/zinc/60/62/81/823606281.db2.gz BKHPSIHTIDWPET-LJQANCHMSA-N 1 0 376.294 4.100 20 10 GICDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000190843733 823615434 /nfs/dbraw/zinc/61/54/34/823615434.db2.gz FJNZEEWZAYXFFX-UHFFFAOYSA-N 1 0 382.401 4.279 20 10 GICDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)CC1 ZINC000063824423 823699699 /nfs/dbraw/zinc/69/96/99/823699699.db2.gz RASODGWDOUJFID-LCYFTJDESA-N 1 0 387.357 4.289 20 10 GICDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3)SC2=S)CC1 ZINC000063823882 823699727 /nfs/dbraw/zinc/69/97/27/823699727.db2.gz YPWBSVPDTGCCGI-ZSOIEALJSA-N 1 0 387.357 4.289 20 10 GICDRO Cn1cnnc1C1CC[NH+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000126205911 823812035 /nfs/dbraw/zinc/81/20/35/823812035.db2.gz JPKAAFXFMAQNMP-UHFFFAOYSA-N 1 0 384.568 4.495 20 10 GICDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000165173574 823837962 /nfs/dbraw/zinc/83/79/62/823837962.db2.gz YGBQBNAFERMHQN-CQSZACIVSA-N 1 0 377.529 4.401 20 10 GICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000165677440 823858379 /nfs/dbraw/zinc/85/83/79/823858379.db2.gz NFUNQIBFBALSGR-LAUBAEHRSA-N 1 0 383.536 4.022 20 10 GICDRO OC1CCN(c2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cc2F)CC1 ZINC000166284196 823874457 /nfs/dbraw/zinc/87/44/57/823874457.db2.gz RZMMUGPAKJOMAA-WMZHIEFXSA-N 1 0 398.522 4.044 20 10 GICDRO COCCCOc1cc(C)ccc1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000167240034 823889485 /nfs/dbraw/zinc/88/94/85/823889485.db2.gz ARCCNYOEPBCVHU-UHFFFAOYSA-N 1 0 398.547 4.178 20 10 GICDRO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2ccccc2O)c2cccs2)CC1 ZINC000126780075 823949451 /nfs/dbraw/zinc/94/94/51/823949451.db2.gz CERUWDNITRZRDC-SFHVURJKSA-N 1 0 387.549 4.068 20 10 GICDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(C(C)C)c(C)cc3O)CC2)c(C)o1 ZINC000171045337 824046468 /nfs/dbraw/zinc/04/64/68/824046468.db2.gz WQCOXMGWTQPMIW-UHFFFAOYSA-N 1 0 384.520 4.428 20 10 GICDRO C[C@@H]([NH2+]Cc1ccccc1Br)c1ccc(N2CCOCC2)c(F)c1 ZINC000120955205 823092492 /nfs/dbraw/zinc/09/24/92/823092492.db2.gz GRRYNFOILHHDMJ-CQSZACIVSA-N 1 0 393.300 4.276 20 10 GICDRO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(OCc3ccccc3)cc1O)n2C ZINC000187589543 823093682 /nfs/dbraw/zinc/09/36/82/823093682.db2.gz DJZXDIMDNWRHDX-UHFFFAOYSA-N 1 0 387.483 4.456 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2)cc1 ZINC000121845844 823261698 /nfs/dbraw/zinc/26/16/98/823261698.db2.gz KVESFUQMRRJVCK-KRWDZBQOSA-N 1 0 393.531 4.363 20 10 GICDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000122657492 823389221 /nfs/dbraw/zinc/38/92/21/823389221.db2.gz BEAATCGEPLVCFS-UHFFFAOYSA-N 1 0 385.939 4.109 20 10 GICDRO CN1CCCc2cc(C[NH2+]C3CCN(C(=O)c4ccccc4Cl)CC3)ccc21 ZINC000122913185 823433252 /nfs/dbraw/zinc/43/32/52/823433252.db2.gz UVXHTJCRFCXJAZ-UHFFFAOYSA-N 1 0 397.950 4.117 20 10 GICDRO Cc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000025810701 820027622 /nfs/dbraw/zinc/02/76/22/820027622.db2.gz IDXVNJZUHAGRSM-HXUWFJFHSA-N 1 0 385.508 4.327 20 10 GICDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C[C@H]1c1ccccc1 ZINC000123007054 823447238 /nfs/dbraw/zinc/44/72/38/823447238.db2.gz HDDUPQMFVUQJJN-NZQKXSOJSA-N 1 0 382.523 4.459 20 10 GICDRO Oc1ccccc1C[N@H+](CCCc1nc(-c2ccccc2)no1)C[C@@H]1CCCO1 ZINC000123518351 823516549 /nfs/dbraw/zinc/51/65/49/823516549.db2.gz VDNKVROWZHBCDR-FQEVSTJZSA-N 1 0 393.487 4.056 20 10 GICDRO COc1cc(O)c(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)cc1OC ZINC000180907091 821528920 /nfs/dbraw/zinc/52/89/20/821528920.db2.gz AJROMXYAEKWJOR-LJQANCHMSA-N 1 0 397.446 4.458 20 10 GICDRO COc1cc(O)c(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)cc1OC ZINC000180907073 821529093 /nfs/dbraw/zinc/52/90/93/821529093.db2.gz AJROMXYAEKWJOR-IBGZPJMESA-N 1 0 397.446 4.458 20 10 GICDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N2CCCCC2)cc1 ZINC000181811942 822002837 /nfs/dbraw/zinc/00/28/37/822002837.db2.gz MIZNPNYSUOKWQI-IFMALSPDSA-N 1 0 391.559 4.376 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cccc(-c3csc(C)n3)c2)c1 ZINC000182327793 822203652 /nfs/dbraw/zinc/20/36/52/822203652.db2.gz WSHGXPFEDJAZGX-ZDUSSCGKSA-N 1 0 397.500 4.122 20 10 GICDRO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)c3cc(OC)ccc3O)cs2)cc1 ZINC000182333887 822205434 /nfs/dbraw/zinc/20/54/34/822205434.db2.gz QDYSPLSRODZZQI-CYBMUJFWSA-N 1 0 398.484 4.162 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 ZINC000182439933 822243585 /nfs/dbraw/zinc/24/35/85/822243585.db2.gz FBWXSEIYNQBLRN-LSDHHAIUSA-N 1 0 382.460 4.017 20 10 GICDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000178194212 822348824 /nfs/dbraw/zinc/34/88/24/822348824.db2.gz JUOXVTCZLKPIQY-TZIWHRDSSA-N 1 0 379.552 4.177 20 10 GICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000178228768 822356294 /nfs/dbraw/zinc/35/62/94/822356294.db2.gz VPEIGNYPDVZADN-QGZVFWFLSA-N 1 0 389.565 4.145 20 10 GICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000178228323 822356459 /nfs/dbraw/zinc/35/64/59/822356459.db2.gz CTBADJNHNDRIKA-GOSISDBHSA-N 1 0 385.527 4.359 20 10 GICDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)cc1)CCO2 ZINC000178665309 822400933 /nfs/dbraw/zinc/40/09/33/822400933.db2.gz VMSKVLJAAFLQPW-HTAPYJJXSA-N 1 0 382.504 4.096 20 10 GICDRO C[C@H]([NH2+][C@H](c1ccccc1)c1ccncc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178705468 822404492 /nfs/dbraw/zinc/40/44/92/822404492.db2.gz QLKNSUORMGMXGI-MHECFPHRSA-N 1 0 391.490 4.498 20 10 GICDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000183023862 822412998 /nfs/dbraw/zinc/41/29/98/822412998.db2.gz JCTGZCILYBFHCA-HSZRJFAPSA-N 1 0 397.515 4.131 20 10 GICDRO COc1cc(O)c(C[NH2+]C2(c3ccc(Br)cc3)CCC2)cc1OC ZINC000179440623 822483407 /nfs/dbraw/zinc/48/34/07/822483407.db2.gz BIJMYKBWPREQMF-UHFFFAOYSA-N 1 0 392.293 4.341 20 10 GICDRO CCOc1ccc(Oc2cc(C[NH2+]Cc3cc(OC)ccc3O)ccn2)cc1 ZINC000180049056 822604189 /nfs/dbraw/zinc/60/41/89/822604189.db2.gz DESLJRFXIGYPCS-UHFFFAOYSA-N 1 0 380.444 4.277 20 10 GICDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc(Br)c1OC ZINC000180507307 822693330 /nfs/dbraw/zinc/69/33/30/822693330.db2.gz VOSKQALKVGEYSB-ZDUSSCGKSA-N 1 0 393.325 4.383 20 10 GICDRO Oc1cc2c(cc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)OCO2 ZINC000180509621 822693789 /nfs/dbraw/zinc/69/37/89/822693789.db2.gz DEWXGPMMFABPOQ-DOTOQJQBSA-N 1 0 375.490 4.051 20 10 GICDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc3ccccc3c2O)N2CCOCC2)o1 ZINC000184909566 822711601 /nfs/dbraw/zinc/71/16/01/822711601.db2.gz HFZZZNANLJVKEJ-DYESRHJHSA-N 1 0 380.488 4.171 20 10 GICDRO C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000184984855 822721845 /nfs/dbraw/zinc/72/18/45/822721845.db2.gz AEKVTHQTSVUELN-ZDUSSCGKSA-N 1 0 380.410 4.458 20 10 GICDRO COc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)c(OC)c1OC ZINC000185066928 822731853 /nfs/dbraw/zinc/73/18/53/822731853.db2.gz BXNBUIABQUJSDX-LLVKDONJSA-N 1 0 396.281 4.031 20 10 GICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c(O)c1 ZINC000185074521 822733385 /nfs/dbraw/zinc/73/33/85/822733385.db2.gz BUHZPYKKRPVNBH-SFHVURJKSA-N 1 0 378.472 4.404 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2c(cc1O)CCCC2 ZINC000185118371 822739283 /nfs/dbraw/zinc/73/92/83/822739283.db2.gz VCZUPRXPLOAHEU-INIZCTEOSA-N 1 0 398.522 4.222 20 10 GICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000185306351 822762803 /nfs/dbraw/zinc/76/28/03/822762803.db2.gz ZPBUDWMGDUXHJP-QZTJIDSGSA-N 1 0 381.520 4.369 20 10 GICDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(C)c(C)cc2O)CC1)c1ccccc1 ZINC000174326751 822771432 /nfs/dbraw/zinc/77/14/32/822771432.db2.gz DZWWLTCNUQIDNT-QFIPXVFZSA-N 1 0 380.532 4.283 20 10 GICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185366044 822772646 /nfs/dbraw/zinc/77/26/46/822772646.db2.gz GBCFXXWNGWPKTQ-QHCPKHFHSA-N 1 0 383.511 4.255 20 10 GICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000174374738 822780236 /nfs/dbraw/zinc/78/02/36/822780236.db2.gz QVSXEJSEFHBVOS-CQSZACIVSA-N 1 0 378.419 4.233 20 10 GICDRO CCCCCNC(=O)C1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000054490110 822890621 /nfs/dbraw/zinc/89/06/21/822890621.db2.gz YURZTLANKBEVSZ-UHFFFAOYSA-N 1 0 384.520 4.072 20 10 GICDRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000054545911 822894557 /nfs/dbraw/zinc/89/45/57/822894557.db2.gz VGEKHDGQRBWSGH-UHFFFAOYSA-N 1 0 392.474 4.213 20 10 GICDRO COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)CCN2C2CC2)c1 ZINC000186503758 822905792 /nfs/dbraw/zinc/90/57/92/822905792.db2.gz DRRFCZLJXKCZQH-PNDGYVOYSA-N 1 0 382.504 4.038 20 10 GICDRO Oc1ccc2oc3c(c2c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1)CCCC3 ZINC000175253215 822915148 /nfs/dbraw/zinc/91/51/48/822915148.db2.gz GTGWYDOPWHWLMH-KRWDZBQOSA-N 1 0 385.504 4.177 20 10 GICDRO OCC1CCN(c2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000186603840 822922090 /nfs/dbraw/zinc/92/20/90/822922090.db2.gz JXLYSCBPXCSBRJ-UHFFFAOYSA-N 1 0 384.486 4.354 20 10 GICDRO O=C(CC1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1)N1CCCC1 ZINC000123926033 823552274 /nfs/dbraw/zinc/55/22/74/823552274.db2.gz RNVDXJMKCFZUQR-UHFFFAOYSA-N 1 0 396.531 4.242 20 10 GICDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000125034213 823646822 /nfs/dbraw/zinc/64/68/22/823646822.db2.gz QXCDNONYGCNVJH-JTSKRJEESA-N 1 0 384.520 4.078 20 10 GICDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cnn1C(C)(C)C ZINC000191203845 823658942 /nfs/dbraw/zinc/65/89/42/823658942.db2.gz STQVPKPJJDFKKW-QGZVFWFLSA-N 1 0 384.568 4.006 20 10 GICDRO CCC[N@H+](Cc1cc(C)cc(OC)c1O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000164261494 823790909 /nfs/dbraw/zinc/79/09/09/823790909.db2.gz UJVXLLGBDKQLSK-UHFFFAOYSA-N 1 0 396.531 4.226 20 10 GICDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164283537 823792598 /nfs/dbraw/zinc/79/25/98/823792598.db2.gz AUYLEGGLKUPACF-UHFFFAOYSA-N 1 0 398.547 4.422 20 10 GICDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1 ZINC000164403832 823801297 /nfs/dbraw/zinc/80/12/97/823801297.db2.gz ZNBFBFLEDNHORB-UHFFFAOYSA-N 1 0 392.543 4.412 20 10 GICDRO COc1cc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000164462047 823803614 /nfs/dbraw/zinc/80/36/14/823803614.db2.gz FIZAWTADBSZOEF-AREMUKBSSA-N 1 0 375.534 4.068 20 10 GICDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000165179262 823837858 /nfs/dbraw/zinc/83/78/58/823837858.db2.gz KSMXLAPIXZOXKK-CQSZACIVSA-N 1 0 378.488 4.374 20 10 GICDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCN(Cc4cccs4)C3)CC2)cc1 ZINC000126832050 823962008 /nfs/dbraw/zinc/96/20/08/823962008.db2.gz DUGQCCLMBUAXNL-LJQANCHMSA-N 1 0 399.604 4.227 20 10 GICDRO C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000121314308 823161418 /nfs/dbraw/zinc/16/14/18/823161418.db2.gz AQXVTPLBMZLAEL-UHFFFAOYSA-N 1 0 396.922 4.199 20 10 GICDRO C[C@@H](c1ccccc1)[N@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccccc1O ZINC000176676019 823264711 /nfs/dbraw/zinc/26/47/11/823264711.db2.gz SKUJVIKYEXRJHW-SFHVURJKSA-N 1 0 385.467 4.164 20 10 GICDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc2ccccc21 ZINC000007242721 817802359 /nfs/dbraw/zinc/80/23/59/817802359.db2.gz WJQWOCYIAPQBGI-GOSISDBHSA-N 1 0 375.516 4.215 20 10 GICDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)cc2F)CC1 ZINC000189078098 823353452 /nfs/dbraw/zinc/35/34/52/823353452.db2.gz XHVKTWAGIBSOAH-PZJWPPBQSA-N 1 0 382.523 4.288 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000122433115 823353618 /nfs/dbraw/zinc/35/36/18/823353618.db2.gz PCQYCWZLIZRYGE-INIZCTEOSA-N 1 0 382.483 4.055 20 10 GICDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122699538 823397120 /nfs/dbraw/zinc/39/71/20/823397120.db2.gz GEFAUYRPAFLWRJ-VFNWGFHPSA-N 1 0 375.896 4.461 20 10 GICDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1Cn1cccn1 ZINC000122778978 823410829 /nfs/dbraw/zinc/41/08/29/823410829.db2.gz DBVZCVJOTJXJLP-SFHVURJKSA-N 1 0 378.520 4.165 20 10 GICDRO CC1(C)[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C[C@H]1c1ccccc1 ZINC000123006538 823447000 /nfs/dbraw/zinc/44/70/00/823447000.db2.gz HDDUPQMFVUQJJN-REWPJTCUSA-N 1 0 382.523 4.459 20 10 GICDRO Oc1ccccc1C[N@H+](CCCc1nc(-c2ccccc2)no1)C[C@H]1CCCO1 ZINC000123518614 823516666 /nfs/dbraw/zinc/51/66/66/823516666.db2.gz VDNKVROWZHBCDR-HXUWFJFHSA-N 1 0 393.487 4.056 20 10 GICDRO Cc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1NC(=O)CN1CCCCC1 ZINC000123543160 823519462 /nfs/dbraw/zinc/51/94/62/823519462.db2.gz YXRKDYQBJSFVMB-UHFFFAOYSA-N 1 0 398.526 4.237 20 10 GICDRO COc1ccc(O)c(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC000180734292 821423477 /nfs/dbraw/zinc/42/34/77/821423477.db2.gz FKPKZBSPPHENDX-UHFFFAOYSA-N 1 0 395.421 4.258 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181350918 821779722 /nfs/dbraw/zinc/77/97/22/821779722.db2.gz ZGQCXEIQIXBEMW-MRXNPFEDSA-N 1 0 387.499 4.085 20 10 GICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000181399673 821806823 /nfs/dbraw/zinc/80/68/23/821806823.db2.gz UEKUXYDSCPFYFK-KUHUBIRLSA-N 1 0 377.326 4.289 20 10 GICDRO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)oc21 ZINC000181563252 821882652 /nfs/dbraw/zinc/88/26/52/821882652.db2.gz TZYZVFQFLLTGEM-OAHLLOKOSA-N 1 0 398.478 4.392 20 10 GICDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000181989710 822054965 /nfs/dbraw/zinc/05/49/65/822054965.db2.gz GZTIOXNIOUEINC-QFIPXVFZSA-N 1 0 384.495 4.038 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000182468269 822254580 /nfs/dbraw/zinc/25/45/80/822254580.db2.gz WVDOKQWFLYDCIQ-QGZVFWFLSA-N 1 0 390.483 4.281 20 10 GICDRO C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000177951302 822254890 /nfs/dbraw/zinc/25/48/90/822254890.db2.gz CEHZRVNMKJKTBV-LIRRHRJNSA-N 1 0 390.886 4.490 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000182467760 822254821 /nfs/dbraw/zinc/25/48/21/822254821.db2.gz NSUFTYRQYDAKTG-MRXNPFEDSA-N 1 0 392.455 4.482 20 10 GICDRO COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000178666019 822401137 /nfs/dbraw/zinc/40/11/37/822401137.db2.gz WPHFWBVEDDIYHF-CVEARBPZSA-N 1 0 388.483 4.091 20 10 GICDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000178665638 822401165 /nfs/dbraw/zinc/40/11/65/822401165.db2.gz ITWVDNPBFCHUEY-RTBURBONSA-N 1 0 376.504 4.121 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179405631 822478214 /nfs/dbraw/zinc/47/82/14/822478214.db2.gz HTDNEACAAJGCIH-MRXNPFEDSA-N 1 0 385.577 4.081 20 10 GICDRO C[C@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccccc1O ZINC000183475285 822481144 /nfs/dbraw/zinc/48/11/44/822481144.db2.gz MIYWLJKJMJNWEN-KXBFYZLASA-N 1 0 394.437 4.135 20 10 GICDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000179515927 822494858 /nfs/dbraw/zinc/49/48/58/822494858.db2.gz QZVSVEJDIVWEGD-MOPGFXCFSA-N 1 0 390.531 4.126 20 10 GICDRO COc1ccc([C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C(C)C)cc1 ZINC000180045404 822603733 /nfs/dbraw/zinc/60/37/33/822603733.db2.gz USQXGNLJNPVILQ-QHCPKHFHSA-N 1 0 386.511 4.282 20 10 GICDRO CCSc1cccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000184581404 822660944 /nfs/dbraw/zinc/66/09/44/822660944.db2.gz HPNCXBBYQLTIPI-VBKFSLOCSA-N 1 0 378.588 4.094 20 10 GICDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000180504200 822692428 /nfs/dbraw/zinc/69/24/28/822692428.db2.gz TWQBBGOUYRJJMQ-HOCLYGCPSA-N 1 0 382.323 4.304 20 10 GICDRO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1O ZINC000184904164 822710669 /nfs/dbraw/zinc/71/06/69/822710669.db2.gz UUWGDALAJAAIOK-WZONZLPQSA-N 1 0 376.500 4.270 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc2ccccc2c1O ZINC000185033372 822727508 /nfs/dbraw/zinc/72/75/08/822727508.db2.gz GYJQBQXDHAGXDL-SJORKVTESA-N 1 0 377.488 4.016 20 10 GICDRO CCOc1ccc(C2(C[NH2+][C@@H](C)c3cc(OC)ccc3O)CCOCC2)cc1 ZINC000185126971 822740444 /nfs/dbraw/zinc/74/04/44/822740444.db2.gz ODYQYLWKJBQUEH-KRWDZBQOSA-N 1 0 385.504 4.199 20 10 GICDRO CCOCc1cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1OC ZINC000051188533 822749901 /nfs/dbraw/zinc/74/99/01/822749901.db2.gz DIMACLBBLNUEBQ-QHCPKHFHSA-N 1 0 383.488 4.244 20 10 GICDRO Cc1cc(O)c(C[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)cc1C ZINC000174281256 822762411 /nfs/dbraw/zinc/76/24/11/822762411.db2.gz MWVCEUIDSWAFLC-UHFFFAOYSA-N 1 0 378.472 4.152 20 10 GICDRO Cc1ccc([C@@H]([NH2+]Cc2ccccc2O)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000174574492 822806897 /nfs/dbraw/zinc/80/68/97/822806897.db2.gz YUKGDWRTFRIWGF-QHCPKHFHSA-N 1 0 395.524 4.292 20 10 GICDRO COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)ccc1OCc1ccncc1 ZINC000054175861 822866201 /nfs/dbraw/zinc/86/62/01/822866201.db2.gz KJWFZXTVMRJCOX-QGZVFWFLSA-N 1 0 390.483 4.455 20 10 GICDRO O=C(Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1)c1cccc(F)c1 ZINC000054176154 822866205 /nfs/dbraw/zinc/86/62/05/822866205.db2.gz NYCLBSHHEWRGTG-UHFFFAOYSA-N 1 0 376.431 4.303 20 10 GICDRO Oc1ccc2oc3c(c2c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1)CCCC3 ZINC000175253230 822915359 /nfs/dbraw/zinc/91/53/59/822915359.db2.gz GTGWYDOPWHWLMH-QGZVFWFLSA-N 1 0 385.504 4.177 20 10 GICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000177929283 823547558 /nfs/dbraw/zinc/54/75/58/823547558.db2.gz XFYGJPRKVJSFCR-IBGZPJMESA-N 1 0 375.516 4.204 20 10 GICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@@H]2C2CC2)C1 ZINC000460973539 823553609 /nfs/dbraw/zinc/55/36/09/823553609.db2.gz MXUVHFSJBCNNCF-QHCPKHFHSA-N 1 0 379.548 4.055 20 10 GICDRO O=C(c1cccc(C[NH+]2CCCC2)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000125316252 823667413 /nfs/dbraw/zinc/66/74/13/823667413.db2.gz YQNVJXADTAOXPX-UHFFFAOYSA-N 1 0 390.483 4.424 20 10 GICDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000125651585 823693429 /nfs/dbraw/zinc/69/34/29/823693429.db2.gz LUXFKAIJPRFMRG-INIZCTEOSA-N 1 0 377.504 4.088 20 10 GICDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000163409995 823707110 /nfs/dbraw/zinc/70/71/10/823707110.db2.gz UTMCJTHFSWPJML-HNNXBMFYSA-N 1 0 394.437 4.401 20 10 GICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000163596978 823727264 /nfs/dbraw/zinc/72/72/64/823727264.db2.gz IYEYRWVMSACMKI-HXUWFJFHSA-N 1 0 384.545 4.252 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000163634679 823730247 /nfs/dbraw/zinc/73/02/47/823730247.db2.gz ZDLWGOMCRSNPRR-KRWDZBQOSA-N 1 0 384.545 4.252 20 10 GICDRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCCCC2)cc1 ZINC000165079624 823833436 /nfs/dbraw/zinc/83/34/36/823833436.db2.gz IXAISYWZWVMZSY-IBGZPJMESA-N 1 0 379.548 4.272 20 10 GICDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000167785584 823895353 /nfs/dbraw/zinc/89/53/53/823895353.db2.gz ZYZIXVGESWUGPE-IAGOWNOFSA-N 1 0 385.527 4.265 20 10 GICDRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCCO2 ZINC000126586525 823906064 /nfs/dbraw/zinc/90/60/64/823906064.db2.gz NVAFRBKTQBJQCG-OAQYLSRUSA-N 1 0 386.923 4.489 20 10 GICDRO COc1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1C ZINC000065014571 823924648 /nfs/dbraw/zinc/92/46/48/823924648.db2.gz RKYHNLCFQXLIDL-UHFFFAOYSA-N 1 0 375.394 4.498 20 10 GICDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000127130637 824023349 /nfs/dbraw/zinc/02/33/49/824023349.db2.gz CUHMSDJYQSYGPE-IBGZPJMESA-N 1 0 375.520 4.451 20 10 GICDRO CCSc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000187795322 823134808 /nfs/dbraw/zinc/13/48/08/823134808.db2.gz PPOXSWDWDNTMND-HNNXBMFYSA-N 1 0 375.513 4.020 20 10 GICDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(N2CCC(O)CC2)cc1 ZINC000121822020 823257777 /nfs/dbraw/zinc/25/77/77/823257777.db2.gz XDTPHOCTWDLNGK-OALUTQOASA-N 1 0 390.531 4.245 20 10 GICDRO C[C@H](c1ccccc1)[N@H+](CC(=O)NCc1cccs1)Cc1ccccc1O ZINC000176678516 823265688 /nfs/dbraw/zinc/26/56/88/823265688.db2.gz YHVQOANVNPNQJL-QGZVFWFLSA-N 1 0 380.513 4.333 20 10 GICDRO Fc1cc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)ccc1N1CCOCC1 ZINC000121965290 823285868 /nfs/dbraw/zinc/28/58/68/823285868.db2.gz IKTUXLDBADJKRA-QFIPXVFZSA-N 1 0 396.506 4.155 20 10 GICDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000176763165 823286591 /nfs/dbraw/zinc/28/65/91/823286591.db2.gz VBDRIPYCQCCWGF-UHFFFAOYSA-N 1 0 383.275 4.134 20 10 GICDRO COc1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000122305707 823335575 /nfs/dbraw/zinc/33/55/75/823335575.db2.gz KPJFIHRNJBKWAR-UHFFFAOYSA-N 1 0 396.531 4.093 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000122433306 823353481 /nfs/dbraw/zinc/35/34/81/823353481.db2.gz PCQYCWZLIZRYGE-MRXNPFEDSA-N 1 0 382.483 4.055 20 10 GICDRO CCC[N@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000022015287 818763714 /nfs/dbraw/zinc/76/37/14/818763714.db2.gz HLEFKCSDEOMQEV-GOSISDBHSA-N 1 0 395.609 4.386 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1-n1cccn1 ZINC000177255842 823411103 /nfs/dbraw/zinc/41/11/03/823411103.db2.gz GBULSPQWSABIRX-RBUKOAKNSA-N 1 0 376.504 4.121 20 10 GICDRO COc1cccc([C@@H]([NH2+]Cc2cccc(OC)c2O)c2cc(F)ccc2OC)c1 ZINC000177562764 823491891 /nfs/dbraw/zinc/49/18/91/823491891.db2.gz BNOYPXDZJLSLIL-JOCHJYFZSA-N 1 0 397.446 4.436 20 10 GICDRO COc1cc(O)c(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)cc1OC ZINC000180648691 821382278 /nfs/dbraw/zinc/38/22/78/821382278.db2.gz CLXDZEKMOWIUPV-LJQANCHMSA-N 1 0 399.512 4.207 20 10 GICDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000181426446 821820458 /nfs/dbraw/zinc/82/04/58/821820458.db2.gz OFKUJXULSKYEOS-UHFFFAOYSA-N 1 0 390.568 4.256 20 10 GICDRO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1O ZINC000181430307 821822869 /nfs/dbraw/zinc/82/28/69/821822869.db2.gz BIDJWIUYBLIBKM-SFHVURJKSA-N 1 0 381.394 4.302 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 ZINC000182439953 822243545 /nfs/dbraw/zinc/24/35/45/822243545.db2.gz FBWXSEIYNQBLRN-HUUCEWRRSA-N 1 0 382.460 4.017 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000182467642 822254657 /nfs/dbraw/zinc/25/46/57/822254657.db2.gz JCWDXWBXIMHMIJ-NSHDSACASA-N 1 0 382.432 4.005 20 10 GICDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000178356065 822370778 /nfs/dbraw/zinc/37/07/78/822370778.db2.gz WEKQLXVMGWSMNE-HZPDHXFCSA-N 1 0 388.483 4.091 20 10 GICDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183027399 822413847 /nfs/dbraw/zinc/41/38/47/822413847.db2.gz KFJMQCSHQNJMLJ-HXUWFJFHSA-N 1 0 396.531 4.100 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ncc(Br)s3)CC2)cc1 ZINC000179222458 822453335 /nfs/dbraw/zinc/45/33/35/822453335.db2.gz AIGTTZHBCVVNCH-GFCCVEGCSA-N 1 0 396.354 4.234 20 10 GICDRO COc1ccc(O)c(C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1 ZINC000179576973 822506188 /nfs/dbraw/zinc/50/61/88/822506188.db2.gz FIDRTLOCPHTMRP-UHFFFAOYSA-N 1 0 396.409 4.269 20 10 GICDRO CN1CCO[C@H]([C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2ccc(Cl)cc2)C1 ZINC000179765335 822547119 /nfs/dbraw/zinc/54/71/19/822547119.db2.gz DBYANIFFTYSCPL-XZOQPEGZSA-N 1 0 399.966 4.102 20 10 GICDRO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2cc(OC)ccc2O)cn1 ZINC000179898998 822573360 /nfs/dbraw/zinc/57/33/60/822573360.db2.gz BYTDFTGEGGXKSF-UHFFFAOYSA-N 1 0 380.444 4.277 20 10 GICDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)c2ccc(F)cc2C1 ZINC000184515289 822648808 /nfs/dbraw/zinc/64/88/08/822648808.db2.gz KMLQHURVYQXKRQ-BLVKFPJESA-N 1 0 376.859 4.329 20 10 GICDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000180448794 822684021 /nfs/dbraw/zinc/68/40/21/822684021.db2.gz JUDLKQONKCQUOS-SFHVURJKSA-N 1 0 381.520 4.365 20 10 GICDRO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1O ZINC000184904143 822710600 /nfs/dbraw/zinc/71/06/00/822710600.db2.gz UUWGDALAJAAIOK-FDDCHVKYSA-N 1 0 376.500 4.270 20 10 GICDRO CSCC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1nnc2ccccn21 ZINC000184908184 822711361 /nfs/dbraw/zinc/71/13/61/822711361.db2.gz RPBOPCBIXZFZBK-KXBFYZLASA-N 1 0 396.560 4.459 20 10 GICDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2O)N2CCOCC2)o1 ZINC000184909529 822711627 /nfs/dbraw/zinc/71/16/27/822711627.db2.gz HFZZZNANLJVKEJ-LAUBAEHRSA-N 1 0 380.488 4.171 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000185090714 822735743 /nfs/dbraw/zinc/73/57/43/822735743.db2.gz CRASFXIIAGCFRN-QGZVFWFLSA-N 1 0 378.516 4.244 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109414 822738244 /nfs/dbraw/zinc/73/82/44/822738244.db2.gz QBOGNLTVLYPEQD-CVEARBPZSA-N 1 0 398.528 4.208 20 10 GICDRO CCOc1ccc(C2(C[NH2+][C@H](C)c3cc(OC)ccc3O)CCOCC2)cc1 ZINC000185126986 822740472 /nfs/dbraw/zinc/74/04/72/822740472.db2.gz ODYQYLWKJBQUEH-QGZVFWFLSA-N 1 0 385.504 4.199 20 10 GICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c(O)c1 ZINC000185306615 822762871 /nfs/dbraw/zinc/76/28/71/822762871.db2.gz VJYCVZGQMXRZLR-QZTJIDSGSA-N 1 0 381.520 4.369 20 10 GICDRO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@@H+]1C ZINC000174392206 822782716 /nfs/dbraw/zinc/78/27/16/822782716.db2.gz LMZDDNMYSGUMQL-AVRDEDQJSA-N 1 0 386.584 4.080 20 10 GICDRO CCN(Cc1cc(Br)ccc1O)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000174425720 822788378 /nfs/dbraw/zinc/78/83/78/822788378.db2.gz LOVUYHDXQBYZQD-LLVKDONJSA-N 1 0 382.302 4.418 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000185570638 822797647 /nfs/dbraw/zinc/79/76/47/822797647.db2.gz OGJCFASUKOLQLQ-BEFAXECRSA-N 1 0 386.492 4.317 20 10 GICDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c1O ZINC000187294016 823038227 /nfs/dbraw/zinc/03/82/27/823038227.db2.gz LILDYBWMJZAWDR-IUODEOHRSA-N 1 0 393.329 4.364 20 10 GICDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000061869015 823616992 /nfs/dbraw/zinc/61/69/92/823616992.db2.gz PDEFPQDRXXLSGQ-UHFFFAOYSA-N 1 0 394.563 4.126 20 10 GICDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2n1 ZINC000125003024 823644158 /nfs/dbraw/zinc/64/41/58/823644158.db2.gz WKIIIFUCNZVZTQ-INIZCTEOSA-N 1 0 395.478 4.070 20 10 GICDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000125034444 823646999 /nfs/dbraw/zinc/64/69/99/823646999.db2.gz QXCDNONYGCNVJH-VGSWGCGISA-N 1 0 384.520 4.078 20 10 GICDRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163391805 823705863 /nfs/dbraw/zinc/70/58/63/823705863.db2.gz KOPYQTHXKCUTAT-FQEVSTJZSA-N 1 0 394.412 4.458 20 10 GICDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000163396778 823706109 /nfs/dbraw/zinc/70/61/09/823706109.db2.gz BYJJFIOKJCNWNW-HXUWFJFHSA-N 1 0 376.422 4.319 20 10 GICDRO CCCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163651169 823732319 /nfs/dbraw/zinc/73/23/19/823732319.db2.gz LWRWIVMZBZZZMD-SFHVURJKSA-N 1 0 386.511 4.440 20 10 GICDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000164191666 823785023 /nfs/dbraw/zinc/78/50/23/823785023.db2.gz FDZBFUHEIJFBTP-UHFFFAOYSA-N 1 0 390.568 4.169 20 10 GICDRO COc1cc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000164262619 823791156 /nfs/dbraw/zinc/79/11/56/823791156.db2.gz HOYGFEBGABQSRS-MRXNPFEDSA-N 1 0 390.568 4.071 20 10 GICDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000126806719 823956110 /nfs/dbraw/zinc/95/61/10/823956110.db2.gz GRSUQJFOQNTGNV-FXAWDEMLSA-N 1 0 387.543 4.258 20 10 GICDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1Br)c1ccccc1O ZINC000121094822 823117593 /nfs/dbraw/zinc/11/75/93/823117593.db2.gz OZCCHGCFSFSTKW-HNNXBMFYSA-N 1 0 380.282 4.413 20 10 GICDRO C[C@@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000121237366 823144990 /nfs/dbraw/zinc/14/49/90/823144990.db2.gz UWHSMQRYNALVPD-GOSISDBHSA-N 1 0 399.604 4.024 20 10 GICDRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000187822574 823140383 /nfs/dbraw/zinc/14/03/83/823140383.db2.gz LSUQWKKVHVQDDO-GBXCKJPGSA-N 1 0 382.523 4.387 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000122426844 823352567 /nfs/dbraw/zinc/35/25/67/823352567.db2.gz NLLXQXFRMNSLBE-HNNXBMFYSA-N 1 0 391.918 4.233 20 10 GICDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122699330 823396972 /nfs/dbraw/zinc/39/69/72/823396972.db2.gz GEFAUYRPAFLWRJ-BTYIYWSLSA-N 1 0 375.896 4.461 20 10 GICDRO CO[C@@H](c1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1)C(C)C ZINC000572863910 823410803 /nfs/dbraw/zinc/41/08/03/823410803.db2.gz KOWNUYUCZVMZAC-OAQYLSRUSA-N 1 0 382.508 4.183 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000177255830 823411113 /nfs/dbraw/zinc/41/11/13/823411113.db2.gz GBULSPQWSABIRX-MOPGFXCFSA-N 1 0 376.504 4.121 20 10 GICDRO O=C(NC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1)c1ccccc1 ZINC000123042790 823452519 /nfs/dbraw/zinc/45/25/19/823452519.db2.gz QWNWJKKMKNWLOU-UHFFFAOYSA-N 1 0 377.532 4.071 20 10 GICDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)no1 ZINC000189791553 823495307 /nfs/dbraw/zinc/49/53/07/823495307.db2.gz APXQQRKTSHZVNK-UHFFFAOYSA-N 1 0 393.487 4.447 20 10 GICDRO CCc1ccc2c(C[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000123302430 823492935 /nfs/dbraw/zinc/49/29/35/823492935.db2.gz ZOMFMRRXCNHWDK-QGZVFWFLSA-N 1 0 392.499 4.043 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000177776792 823524488 /nfs/dbraw/zinc/52/44/88/823524488.db2.gz VPNQRXIVHYRHAY-IBGZPJMESA-N 1 0 375.520 4.168 20 10 GICDRO COc1ccc(C[C@@H]([NH2+]Cc2cc(OC)ccc2O)c2ccc(OC)cc2)cc1 ZINC000180895140 821521101 /nfs/dbraw/zinc/52/11/01/821521101.db2.gz QTBJYCORFHJBND-HSZRJFAPSA-N 1 0 393.483 4.492 20 10 GICDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000180994110 821581835 /nfs/dbraw/zinc/58/18/35/821581835.db2.gz UIDWRXLEUDCZGS-IRXDYDNUSA-N 1 0 396.510 4.444 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Br)ccc1O ZINC000181010774 821591643 /nfs/dbraw/zinc/59/16/43/821591643.db2.gz CBFQBDAJOBGLMO-CYBMUJFWSA-N 1 0 376.298 4.001 20 10 GICDRO COc1ccc(O)c(CNc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)c1 ZINC000181019251 821596602 /nfs/dbraw/zinc/59/66/02/821596602.db2.gz HNISAUIEOVPYBS-UHFFFAOYSA-N 1 0 397.519 4.218 20 10 GICDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000181075781 821620343 /nfs/dbraw/zinc/62/03/43/821620343.db2.gz UNDHHWSCQVGZHQ-IBGZPJMESA-N 1 0 383.536 4.439 20 10 GICDRO C[C@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000181331181 821764064 /nfs/dbraw/zinc/76/40/64/821764064.db2.gz XFPSYHZGHHCHGE-YWZLYKJASA-N 1 0 388.458 4.366 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177973761 822264726 /nfs/dbraw/zinc/26/47/26/822264726.db2.gz GTUPPMMZDUWAOA-GOSISDBHSA-N 1 0 383.511 4.113 20 10 GICDRO C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178163408 822337395 /nfs/dbraw/zinc/33/73/95/822337395.db2.gz ZADWOODXMGWEJP-AWEZNQCLSA-N 1 0 393.300 4.276 20 10 GICDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000178356053 822370707 /nfs/dbraw/zinc/37/07/07/822370707.db2.gz WEKQLXVMGWSMNE-JKSUJKDBSA-N 1 0 388.483 4.091 20 10 GICDRO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000178606927 822396041 /nfs/dbraw/zinc/39/60/41/822396041.db2.gz OOWHMJGJLKYRJQ-UQBPGWFLSA-N 1 0 387.527 4.483 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178665626 822400940 /nfs/dbraw/zinc/40/09/40/822400940.db2.gz ITWVDNPBFCHUEY-MOPGFXCFSA-N 1 0 376.504 4.121 20 10 GICDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000183160210 822433285 /nfs/dbraw/zinc/43/32/85/822433285.db2.gz XTPNNNKGJXZLEJ-KNQAVFIVSA-N 1 0 385.529 4.116 20 10 GICDRO C[C@@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccccc1O ZINC000183475307 822481072 /nfs/dbraw/zinc/48/10/72/822481072.db2.gz MIYWLJKJMJNWEN-BEFAXECRSA-N 1 0 394.437 4.135 20 10 GICDRO C[C@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccccc1O ZINC000183475327 822481221 /nfs/dbraw/zinc/48/12/21/822481221.db2.gz MIYWLJKJMJNWEN-HNAYVOBHSA-N 1 0 394.437 4.135 20 10 GICDRO C[C@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000179968157 822587400 /nfs/dbraw/zinc/58/74/00/822587400.db2.gz ZWUYQIRROFDYMX-MGPUTAFESA-N 1 0 388.458 4.366 20 10 GICDRO C[C@@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000179968172 822587403 /nfs/dbraw/zinc/58/74/03/822587403.db2.gz ZWUYQIRROFDYMX-FOIQADDNSA-N 1 0 388.458 4.366 20 10 GICDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C ZINC000048745174 822680745 /nfs/dbraw/zinc/68/07/45/822680745.db2.gz CHVUUZHCLOAJQQ-UHFFFAOYSA-N 1 0 394.437 4.149 20 10 GICDRO COc1cc(Br)cc(C[N@H+](CCC(F)(F)F)CC2CC2)c1O ZINC000180536993 822698237 /nfs/dbraw/zinc/69/82/37/822698237.db2.gz PUHIFYVAZICHCJ-UHFFFAOYSA-N 1 0 382.220 4.328 20 10 GICDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc2ccccc2c1O ZINC000184853071 822700589 /nfs/dbraw/zinc/70/05/89/822700589.db2.gz YRNBQEDPEUSBJF-JXFKEZNVSA-N 1 0 382.529 4.331 20 10 GICDRO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1O ZINC000184904103 822710624 /nfs/dbraw/zinc/71/06/24/822710624.db2.gz UUWGDALAJAAIOK-MBSDFSHPSA-N 1 0 376.500 4.270 20 10 GICDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)c(OC)c1OC ZINC000185066905 822731905 /nfs/dbraw/zinc/73/19/05/822731905.db2.gz BXNBUIABQUJSDX-NSHDSACASA-N 1 0 396.281 4.031 20 10 GICDRO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1)c1ccccc1 ZINC000185259923 822755868 /nfs/dbraw/zinc/75/58/68/822755868.db2.gz XSISMGLOHDUTSO-LAUBAEHRSA-N 1 0 396.531 4.236 20 10 GICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000185306373 822762862 /nfs/dbraw/zinc/76/28/62/822762862.db2.gz ZPBUDWMGDUXHJP-MSOLQXFVSA-N 1 0 381.520 4.369 20 10 GICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000174374722 822780225 /nfs/dbraw/zinc/78/02/25/822780225.db2.gz QVSXEJSEFHBVOS-AWEZNQCLSA-N 1 0 378.419 4.233 20 10 GICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000185447203 822785253 /nfs/dbraw/zinc/78/52/53/822785253.db2.gz MMDLVTBVEOKFEX-KRWDZBQOSA-N 1 0 390.487 4.268 20 10 GICDRO C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185506219 822791728 /nfs/dbraw/zinc/79/17/28/822791728.db2.gz PODSHVPGQULSSB-GOSISDBHSA-N 1 0 392.543 4.474 20 10 GICDRO COc1cccc(Oc2ncccc2C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185535957 822794433 /nfs/dbraw/zinc/79/44/33/822794433.db2.gz ZONJIXIQLBDHGV-HNNXBMFYSA-N 1 0 380.444 4.448 20 10 GICDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000186101438 822851935 /nfs/dbraw/zinc/85/19/35/822851935.db2.gz GBRHHEXGHRYTQT-JKSUJKDBSA-N 1 0 388.483 4.238 20 10 GICDRO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3csc(C(C)C)n3)cc2F)CC1 ZINC000186328554 822876817 /nfs/dbraw/zinc/87/68/17/822876817.db2.gz IOWWMOCJNJTQSL-MRXNPFEDSA-N 1 0 390.572 4.398 20 10 GICDRO OC1CCN(c2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cc2F)CC1 ZINC000186603783 822922038 /nfs/dbraw/zinc/92/20/38/822922038.db2.gz SSZRHPLHVRQPJY-UHFFFAOYSA-N 1 0 388.449 4.245 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(N2CCCCCC2)cc1 ZINC000124786453 823626113 /nfs/dbraw/zinc/62/61/13/823626113.db2.gz WLAQCCQHIAFFOZ-LJQANCHMSA-N 1 0 375.520 4.499 20 10 GICDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCC(CO)CC3)cc1)CCS2 ZINC000191500642 823692045 /nfs/dbraw/zinc/69/20/45/823692045.db2.gz UUPWRCUDCJQKLJ-JOCHJYFZSA-N 1 0 398.572 4.231 20 10 GICDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCSCC3)cc1)CCCO2 ZINC000163579249 823724559 /nfs/dbraw/zinc/72/45/59/823724559.db2.gz JFVGDBPMCPFXMC-NRFANRHFSA-N 1 0 384.545 4.252 20 10 GICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000163601017 823727179 /nfs/dbraw/zinc/72/71/79/823727179.db2.gz NSHYMHOSBBVYHO-HXUWFJFHSA-N 1 0 386.561 4.498 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000163634799 823730428 /nfs/dbraw/zinc/73/04/28/823730428.db2.gz ZDLWGOMCRSNPRR-QGZVFWFLSA-N 1 0 384.545 4.252 20 10 GICDRO CCOc1ccc(O)c(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1 ZINC000126170621 823804363 /nfs/dbraw/zinc/80/43/63/823804363.db2.gz JUJRMJHCYIVNRK-UHFFFAOYSA-N 1 0 397.519 4.218 20 10 GICDRO CN(C)c1ccc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000126182144 823807050 /nfs/dbraw/zinc/80/70/50/823807050.db2.gz DRIKSBMZIVTPEK-UHFFFAOYSA-N 1 0 380.536 4.179 20 10 GICDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccc(F)cc2O1 ZINC000165185022 823838551 /nfs/dbraw/zinc/83/85/51/823838551.db2.gz KJPKJIHFLNORHN-LJQANCHMSA-N 1 0 388.458 4.193 20 10 GICDRO OCC1CCN(c2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000166284975 823874387 /nfs/dbraw/zinc/87/43/87/823874387.db2.gz KNKMOTQEJQUNPZ-WIOPSUGQSA-N 1 0 394.559 4.153 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166454835 823877771 /nfs/dbraw/zinc/87/77/71/823877771.db2.gz YSBLCTFGKVDTDX-YADARESESA-N 1 0 380.532 4.422 20 10 GICDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000121631766 823219327 /nfs/dbraw/zinc/21/93/27/823219327.db2.gz FEFRCMOGGSCADH-HZPDHXFCSA-N 1 0 385.483 4.033 20 10 GICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccc(N2CCC(O)CC2)cc1 ZINC000121822507 823258157 /nfs/dbraw/zinc/25/81/57/823258157.db2.gz XDTPHOCTWDLNGK-RTBURBONSA-N 1 0 390.531 4.245 20 10 GICDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(CO)c1 ZINC000122019235 823294211 /nfs/dbraw/zinc/29/42/11/823294211.db2.gz WVGQNTITDIZWAW-MAUKXSAKSA-N 1 0 376.447 4.100 20 10 GICDRO CCOc1cccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1O ZINC000189581707 823451416 /nfs/dbraw/zinc/45/14/16/823451416.db2.gz FOXCNWHBKSEDPB-UHFFFAOYSA-N 1 0 398.503 4.331 20 10 GICDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)c1 ZINC000177880843 823540461 /nfs/dbraw/zinc/54/04/61/823540461.db2.gz HWIZFLHDEQVPCK-QGZVFWFLSA-N 1 0 383.511 4.417 20 10 GICDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000180994145 821581517 /nfs/dbraw/zinc/58/15/17/821581517.db2.gz UIDWRXLEUDCZGS-SJORKVTESA-N 1 0 396.510 4.444 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178102016 822319988 /nfs/dbraw/zinc/31/99/88/822319988.db2.gz ZJCOKJYJDJMHDI-GOSISDBHSA-N 1 0 396.531 4.329 20 10 GICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000178228757 822356370 /nfs/dbraw/zinc/35/63/70/822356370.db2.gz VPEIGNYPDVZADN-KRWDZBQOSA-N 1 0 389.565 4.145 20 10 GICDRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000178296617 822364489 /nfs/dbraw/zinc/36/44/89/822364489.db2.gz CSFFIALCOHESBL-GOSISDBHSA-N 1 0 386.561 4.072 20 10 GICDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000178524716 822387915 /nfs/dbraw/zinc/38/79/15/822387915.db2.gz PTDDDRWULVPPQP-GOSISDBHSA-N 1 0 399.558 4.417 20 10 GICDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000183160170 822433255 /nfs/dbraw/zinc/43/32/55/822433255.db2.gz XTPNNNKGJXZLEJ-DENIHFKCSA-N 1 0 385.529 4.116 20 10 GICDRO COc1cc(-c2noc(CCCCC[NH2+][C@@H](C)c3ccccc3O)n2)ccc1O ZINC000183605241 822500353 /nfs/dbraw/zinc/50/03/53/822500353.db2.gz NEQUTFAWFKVCBV-HNNXBMFYSA-N 1 0 397.475 4.220 20 10 GICDRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179568087 822504897 /nfs/dbraw/zinc/50/48/97/822504897.db2.gz WVIXPAKYKUWXPU-UHFFFAOYSA-N 1 0 389.293 4.005 20 10 GICDRO CN(C)c1ccc(CN(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000184611153 822665541 /nfs/dbraw/zinc/66/55/41/822665541.db2.gz LLAYJBHKMAZMCS-UHFFFAOYSA-N 1 0 379.548 4.013 20 10 GICDRO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1O ZINC000184904122 822710700 /nfs/dbraw/zinc/71/07/00/822710700.db2.gz UUWGDALAJAAIOK-JPYJTQIMSA-N 1 0 376.500 4.270 20 10 GICDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc(Cl)ccc1O ZINC000185018385 822725845 /nfs/dbraw/zinc/72/58/45/822725845.db2.gz FKTMUJDQNUIGNC-CYBMUJFWSA-N 1 0 376.859 4.140 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cc(Cl)ccc1O ZINC000185058286 822730531 /nfs/dbraw/zinc/73/05/31/822730531.db2.gz OPMBDDRGOJSKIJ-UONOGXRCSA-N 1 0 388.895 4.115 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c1 ZINC000185074481 822733159 /nfs/dbraw/zinc/73/31/59/822733159.db2.gz CWMSWJYMQCUZOK-QGZVFWFLSA-N 1 0 394.471 4.104 20 10 GICDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185362578 822771967 /nfs/dbraw/zinc/77/19/67/822771967.db2.gz JBOFGTDCWJUKPS-HZPDHXFCSA-N 1 0 389.490 4.224 20 10 GICDRO CC[C@@](C)([NH2+]Cc1cc(Br)cc(OC)c1O)c1nc(C)cs1 ZINC000174502882 822797756 /nfs/dbraw/zinc/79/77/56/822797756.db2.gz GKVMMWVIDRVXBW-MRXNPFEDSA-N 1 0 385.327 4.343 20 10 GICDRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc4ccccc4c3O)CC2)ncn1 ZINC000185642895 822806099 /nfs/dbraw/zinc/80/60/99/822806099.db2.gz OKOVQFRUYDGVPO-MRXNPFEDSA-N 1 0 376.504 4.217 20 10 GICDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S ZINC000174912987 822854930 /nfs/dbraw/zinc/85/49/30/822854930.db2.gz JLPKGOSUCQAAKC-BOPFTXTBSA-N 1 0 385.558 4.024 20 10 GICDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000186164459 822857344 /nfs/dbraw/zinc/85/73/44/822857344.db2.gz SINFYLLDBRUGJS-AEFFLSMTSA-N 1 0 383.513 4.449 20 10 GICDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c1O ZINC000187294072 823038216 /nfs/dbraw/zinc/03/82/16/823038216.db2.gz LILDYBWMJZAWDR-WFASDCNBSA-N 1 0 393.329 4.364 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000163576808 823724061 /nfs/dbraw/zinc/72/40/61/823724061.db2.gz UATRXIWYMIJDJC-KRWDZBQOSA-N 1 0 397.544 4.047 20 10 GICDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1OC ZINC000163583871 823725034 /nfs/dbraw/zinc/72/50/34/823725034.db2.gz TWVREUFEXZRVRU-KRWDZBQOSA-N 1 0 386.561 4.416 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000163615621 823728306 /nfs/dbraw/zinc/72/83/06/823728306.db2.gz NVCNATAZGXIBBP-SFHVURJKSA-N 1 0 378.545 4.276 20 10 GICDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)ccc1SC ZINC000165190564 823838949 /nfs/dbraw/zinc/83/89/49/823838949.db2.gz AVQREVQTDKFZHL-OAHLLOKOSA-N 1 0 390.524 4.244 20 10 GICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000165677688 823858344 /nfs/dbraw/zinc/85/83/44/823858344.db2.gz NFUNQIBFBALSGR-DYESRHJHSA-N 1 0 383.536 4.022 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000167785373 823895033 /nfs/dbraw/zinc/89/50/33/823895033.db2.gz ZYZIXVGESWUGPE-SJORKVTESA-N 1 0 385.527 4.265 20 10 GICDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000187379891 823052665 /nfs/dbraw/zinc/05/26/65/823052665.db2.gz KRDFVIWGZCSRRB-SUYBPPKGSA-N 1 0 386.355 4.168 20 10 GICDRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120818877 823070706 /nfs/dbraw/zinc/07/07/06/823070706.db2.gz DPJTUEMVMDFFGF-AUSIDOKSSA-N 1 0 397.538 4.150 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@@H](CN3CCCC3)c3ccccc3)CC2)cc1 ZINC000120832074 823073443 /nfs/dbraw/zinc/07/34/43/823073443.db2.gz ACQDYZMPMLIFDP-DEOSSOPVSA-N 1 0 379.548 4.091 20 10 GICDRO CC(C)(O)c1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)cc1 ZINC000187524590 823081269 /nfs/dbraw/zinc/08/12/69/823081269.db2.gz AESNCLIKSFDVBV-UHFFFAOYSA-N 1 0 377.484 4.488 20 10 GICDRO c1ccn2c(c1)nnc2C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000120891386 823082894 /nfs/dbraw/zinc/08/28/94/823082894.db2.gz MLJDUKSGCCHDKL-UHFFFAOYSA-N 1 0 375.520 4.099 20 10 GICDRO CSc1ccccc1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000056479128 823158040 /nfs/dbraw/zinc/15/80/40/823158040.db2.gz VUIMVQFBORXSIF-UHFFFAOYSA-N 1 0 381.545 4.193 20 10 GICDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(CO)c1 ZINC000121631178 823219401 /nfs/dbraw/zinc/21/94/01/823219401.db2.gz ICXCPTKOVPTMCU-HNNXBMFYSA-N 1 0 376.447 4.100 20 10 GICDRO Fc1cc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)ccc1N1CCOCC1 ZINC000121965143 823285878 /nfs/dbraw/zinc/28/58/78/823285878.db2.gz IKTUXLDBADJKRA-JOCHJYFZSA-N 1 0 396.506 4.155 20 10 GICDRO COc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1OC(F)F ZINC000176798912 823295373 /nfs/dbraw/zinc/29/53/73/823295373.db2.gz BFASABSIENIZQT-QGZVFWFLSA-N 1 0 393.430 4.183 20 10 GICDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000122429645 823352895 /nfs/dbraw/zinc/35/28/95/823352895.db2.gz NZQIHPZLLYGPMP-ZDUSSCGKSA-N 1 0 397.416 4.417 20 10 GICDRO CCOCCC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000122590605 823378019 /nfs/dbraw/zinc/37/80/19/823378019.db2.gz QWELMUQJSUMMSR-SFHVURJKSA-N 1 0 378.532 4.300 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000123212730 823479550 /nfs/dbraw/zinc/47/95/50/823479550.db2.gz FJWKSBRZQNIHMZ-OAQYLSRUSA-N 1 0 379.529 4.500 20 10 GICDRO COc1cccc([C@H]([NH2+]Cc2cccc(OC)c2O)c2cc(F)ccc2OC)c1 ZINC000177562746 823491772 /nfs/dbraw/zinc/49/17/72/823491772.db2.gz BNOYPXDZJLSLIL-QFIPXVFZSA-N 1 0 397.446 4.436 20 10 GICDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1OCc1cccnc1 ZINC000030545862 820637353 /nfs/dbraw/zinc/63/73/53/820637353.db2.gz BVIXGNTYNZCAND-UHFFFAOYSA-N 1 0 377.488 4.025 20 10 GICDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)no1 ZINC000181845955 822015281 /nfs/dbraw/zinc/01/52/81/822015281.db2.gz JIGOUQCBGWPVCD-ROUUACIJSA-N 1 0 392.503 4.028 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccc3ccccc32)c1 ZINC000182338855 822207494 /nfs/dbraw/zinc/20/74/94/822207494.db2.gz WKEGTIQJLMEIEA-CVEARBPZSA-N 1 0 378.472 4.082 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](c2cccs2)C(C)(C)C)c1 ZINC000182436626 822242228 /nfs/dbraw/zinc/24/22/28/822242228.db2.gz PGOIBYCHJIWRRD-ORAYPTAESA-N 1 0 376.522 4.017 20 10 GICDRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC000177975583 822265929 /nfs/dbraw/zinc/26/59/29/822265929.db2.gz FADJQJUFHUMCJU-UHFFFAOYSA-N 1 0 375.516 4.209 20 10 GICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000178228310 822356311 /nfs/dbraw/zinc/35/63/11/822356311.db2.gz CTBADJNHNDRIKA-SFHVURJKSA-N 1 0 385.527 4.359 20 10 GICDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000178538331 822389539 /nfs/dbraw/zinc/38/95/39/822389539.db2.gz BCMTYNGCIHAYQR-OAQYLSRUSA-N 1 0 386.536 4.361 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000178665614 822400868 /nfs/dbraw/zinc/40/08/68/822400868.db2.gz ITWVDNPBFCHUEY-RBUKOAKNSA-N 1 0 376.504 4.121 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ncc(Br)s3)CC2)cc1 ZINC000179222389 822453276 /nfs/dbraw/zinc/45/32/76/822453276.db2.gz AIGTTZHBCVVNCH-LBPRGKRZSA-N 1 0 396.354 4.234 20 10 GICDRO CC(C)([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1Br ZINC000179329719 822466941 /nfs/dbraw/zinc/46/69/41/822466941.db2.gz CPMAZSLAJILKQB-UHFFFAOYSA-N 1 0 389.337 4.311 20 10 GICDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000180360821 822670308 /nfs/dbraw/zinc/67/03/08/822670308.db2.gz OMSBQBRBJPJCHA-OCEACIFDSA-N 1 0 393.491 4.030 20 10 GICDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000180504181 822692349 /nfs/dbraw/zinc/69/23/49/822692349.db2.gz TWQBBGOUYRJJMQ-GOEBONIOSA-N 1 0 382.323 4.304 20 10 GICDRO COc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)cc(OC)c1OC ZINC000184894909 822709141 /nfs/dbraw/zinc/70/91/41/822709141.db2.gz FIGWXTJTZCSDMS-NSHDSACASA-N 1 0 396.281 4.031 20 10 GICDRO CSCC[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1nnc2ccccn21 ZINC000184908240 822711563 /nfs/dbraw/zinc/71/15/63/822711563.db2.gz RPBOPCBIXZFZBK-DNVCBOLYSA-N 1 0 396.560 4.459 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1cc2c(cc1O)CCCC2 ZINC000185017017 822725657 /nfs/dbraw/zinc/72/56/57/822725657.db2.gz MPWZUADTOSGIMH-ZDUSSCGKSA-N 1 0 380.410 4.458 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000185024773 822726642 /nfs/dbraw/zinc/72/66/42/822726642.db2.gz FCERIBFOJWOROO-CYBMUJFWSA-N 1 0 395.425 4.134 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1O ZINC000185072210 822732754 /nfs/dbraw/zinc/73/27/54/822732754.db2.gz TVVKTNCFRMHTCH-MRXNPFEDSA-N 1 0 380.463 4.372 20 10 GICDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2C1 ZINC000185350902 822769620 /nfs/dbraw/zinc/76/96/20/822769620.db2.gz WAEWMFUMGVGWJR-XMMPIXPASA-N 1 0 395.522 4.399 20 10 GICDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@@H+]1C ZINC000174392175 822782720 /nfs/dbraw/zinc/78/27/20/822782720.db2.gz LMZDDNMYSGUMQL-XMSQKQJNSA-N 1 0 386.584 4.080 20 10 GICDRO C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185506202 822791656 /nfs/dbraw/zinc/79/16/56/822791656.db2.gz PODSHVPGQULSSB-SFHVURJKSA-N 1 0 392.543 4.474 20 10 GICDRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185683570 822809733 /nfs/dbraw/zinc/80/97/33/822809733.db2.gz QJGDCCHGZMOBDU-BXUZGUMPSA-N 1 0 379.302 4.055 20 10 GICDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000186101179 822851714 /nfs/dbraw/zinc/85/17/14/822851714.db2.gz PHNMTSIBPYDJKZ-QZTJIDSGSA-N 1 0 384.520 4.408 20 10 GICDRO CCOc1ccc(Oc2cc(C[NH2+]Cc3ccc4c(c3)CCO4)ccn2)cc1 ZINC000054176039 822866168 /nfs/dbraw/zinc/86/61/68/822866168.db2.gz SHQUUXCVNNQYOT-UHFFFAOYSA-N 1 0 376.456 4.497 20 10 GICDRO CC1(C)OCc2cc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)ccc2O1 ZINC000186367293 822882845 /nfs/dbraw/zinc/88/28/45/822882845.db2.gz UOFLZHIKMSWTJC-UHFFFAOYSA-N 1 0 384.545 4.175 20 10 GICDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000124885315 823633779 /nfs/dbraw/zinc/63/37/79/823633779.db2.gz HPVMUFIJEVKNIP-IBGZPJMESA-N 1 0 395.547 4.043 20 10 GICDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163340151 823702546 /nfs/dbraw/zinc/70/25/46/823702546.db2.gz UQUJPQYZOYBHIQ-HUUCEWRRSA-N 1 0 376.447 4.222 20 10 GICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CCSC)c2nnc3ccccn32)cc1 ZINC000164216016 823786627 /nfs/dbraw/zinc/78/66/27/823786627.db2.gz CAJBJFLLERRUHN-APWZRJJASA-N 1 0 383.565 4.330 20 10 GICDRO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164329552 823796562 /nfs/dbraw/zinc/79/65/62/823796562.db2.gz LOSCWGDJXMQLIW-MRXNPFEDSA-N 1 0 390.568 4.073 20 10 GICDRO Fc1cc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)ccc1N1CCOCC1 ZINC000165174930 823838166 /nfs/dbraw/zinc/83/81/66/823838166.db2.gz BMZMUUYTAZNNKV-IBGZPJMESA-N 1 0 390.886 4.319 20 10 GICDRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CCCO2 ZINC000165185907 823838419 /nfs/dbraw/zinc/83/84/19/823838419.db2.gz KXAAKUBUUMNYIS-NRFANRHFSA-N 1 0 384.495 4.283 20 10 GICDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000165677571 823858514 /nfs/dbraw/zinc/85/85/14/823858514.db2.gz NFUNQIBFBALSGR-UTKZUKDTSA-N 1 0 383.536 4.022 20 10 GICDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000127072993 824011578 /nfs/dbraw/zinc/01/15/78/824011578.db2.gz HERYAYBKXLQEQM-LBPRGKRZSA-N 1 0 385.455 4.158 20 10 GICDRO CCOc1ccccc1C(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000359972652 209208175 /nfs/dbraw/zinc/20/81/75/209208175.db2.gz GIGFSTNEPTWKHC-QGZVFWFLSA-N 1 0 382.504 4.055 20 10 GICDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(C(C)C)c(C)cc3O)CC2)nc1 ZINC000057090505 823249018 /nfs/dbraw/zinc/24/90/18/823249018.db2.gz VKCKNXIWCYZTBN-UHFFFAOYSA-N 1 0 381.520 4.378 20 10 GICDRO COc1cc(O)c(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)cc1OC ZINC000188852391 823317443 /nfs/dbraw/zinc/31/74/43/823317443.db2.gz SAAIPBLAMWCXDD-UHFFFAOYSA-N 1 0 381.394 4.250 20 10 GICDRO CCOc1cc2c(cc1OCC)C[N@H+](Cc1c(O)ccc3ccncc31)CC2 ZINC000021996577 818762424 /nfs/dbraw/zinc/76/24/24/818762424.db2.gz ZHLMBEHJTRIZHH-UHFFFAOYSA-N 1 0 378.472 4.296 20 10 GICDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1 ZINC000122688990 823395146 /nfs/dbraw/zinc/39/51/46/823395146.db2.gz KLQTVZSOGBAOSB-GAJHUEQPSA-N 1 0 385.504 4.206 20 10 GICDRO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1Cl ZINC000122713792 823399116 /nfs/dbraw/zinc/39/91/16/823399116.db2.gz DCWMJYINXJCULQ-CQSZACIVSA-N 1 0 380.319 4.118 20 10 GICDRO COc1ccc(N2CCC([NH2+]CC(C)(C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000122881784 823428259 /nfs/dbraw/zinc/42/82/59/823428259.db2.gz ZLEAEJURUVIVDK-UHFFFAOYSA-N 1 0 396.531 4.003 20 10 GICDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C[C@@H]1c1ccccc1 ZINC000123007285 823447270 /nfs/dbraw/zinc/44/72/70/823447270.db2.gz HDDUPQMFVUQJJN-NFBKMPQASA-N 1 0 382.523 4.459 20 10 GICDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C12CCCCC2 ZINC000181563081 821881831 /nfs/dbraw/zinc/88/18/31/821881831.db2.gz DPTWIGVQWBIMEK-FCHUYYIVSA-N 1 0 390.543 4.004 20 10 GICDRO COc1ccccc1[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000182203322 822145386 /nfs/dbraw/zinc/14/53/86/822145386.db2.gz PZVXBRXEVSRHNE-HSZRJFAPSA-N 1 0 379.456 4.297 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000182368622 822217676 /nfs/dbraw/zinc/21/76/76/822217676.db2.gz QKXNYYKSYRETMA-GFCCVEGCSA-N 1 0 384.457 4.104 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(-c3ccc(O)c(OC)c3)n2)c1 ZINC000182440816 822243898 /nfs/dbraw/zinc/24/38/98/822243898.db2.gz FFDIYUOLKCDREE-GFCCVEGCSA-N 1 0 386.473 4.089 20 10 GICDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178125407 822327084 /nfs/dbraw/zinc/32/70/84/822327084.db2.gz UHYWHKKZZYEXOI-PDIWNELESA-N 1 0 384.495 4.233 20 10 GICDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCSc4c(F)cccc43)cc2F)CC1 ZINC000178536212 822389231 /nfs/dbraw/zinc/38/92/31/822389231.db2.gz SHQXVZONYVYHBK-IBGZPJMESA-N 1 0 390.499 4.253 20 10 GICDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000178536501 822389285 /nfs/dbraw/zinc/38/92/85/822389285.db2.gz QTKMVOZRQRZRBQ-KRWDZBQOSA-N 1 0 386.511 4.426 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178713919 822405088 /nfs/dbraw/zinc/40/50/88/822405088.db2.gz LQVASGTYIHFINH-LBPRGKRZSA-N 1 0 399.329 4.337 20 10 GICDRO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183103302 822424903 /nfs/dbraw/zinc/42/49/03/822424903.db2.gz FLAHIQWESOPJJO-NDEPHWFRSA-N 1 0 395.524 4.341 20 10 GICDRO CCN(CC)c1ccc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000183781791 822527569 /nfs/dbraw/zinc/52/75/69/822527569.db2.gz JYYQCMAXUYRULJ-UHFFFAOYSA-N 1 0 382.552 4.344 20 10 GICDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046926654 822531716 /nfs/dbraw/zinc/53/17/16/822531716.db2.gz PFJGNBXTIWXXRG-UHFFFAOYSA-N 1 0 394.563 4.080 20 10 GICDRO COc1cc(O)c(C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1OC ZINC000179830745 822561885 /nfs/dbraw/zinc/56/18/85/822561885.db2.gz DAJFOLNKQVQBQM-UHFFFAOYSA-N 1 0 399.466 4.003 20 10 GICDRO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(F)ccc1O ZINC000179885365 822571634 /nfs/dbraw/zinc/57/16/34/822571634.db2.gz YDZZTIFLOXNAAQ-UHFFFAOYSA-N 1 0 384.373 4.399 20 10 GICDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000179946552 822583015 /nfs/dbraw/zinc/58/30/15/822583015.db2.gz QZYAHFYNPNGDCI-SFHVURJKSA-N 1 0 381.476 4.116 20 10 GICDRO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000180000351 822593377 /nfs/dbraw/zinc/59/33/77/822593377.db2.gz WZANYLNOKHPMGO-UHFFFAOYSA-N 1 0 395.522 4.164 20 10 GICDRO COc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)cc(OC)c1OC ZINC000184894926 822709168 /nfs/dbraw/zinc/70/91/68/822709168.db2.gz FIGWXTJTZCSDMS-LLVKDONJSA-N 1 0 396.281 4.031 20 10 GICDRO C[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1cc2c(cc1O)CCCC2 ZINC000185019038 822725881 /nfs/dbraw/zinc/72/58/81/822725881.db2.gz YRWXJFUPPOOMGH-ZDUSSCGKSA-N 1 0 380.410 4.458 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000185118849 822739309 /nfs/dbraw/zinc/73/93/09/822739309.db2.gz AUXHRNHANGSQFK-SFHVURJKSA-N 1 0 394.559 4.331 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000185181878 822746488 /nfs/dbraw/zinc/74/64/88/822746488.db2.gz TUYGWDBFKRYHDW-GOSISDBHSA-N 1 0 388.511 4.332 20 10 GICDRO CC(C)(C)c1cc(C[NH2+]CCCCCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000185215414 822750173 /nfs/dbraw/zinc/75/01/73/822750173.db2.gz MEZZCHVZABRNSH-UHFFFAOYSA-N 1 0 383.598 4.292 20 10 GICDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc2ccccc2c1O ZINC000185710260 822812711 /nfs/dbraw/zinc/81/27/11/822812711.db2.gz ABIJFBVBQWEVQX-GHTZIAJQSA-N 1 0 388.511 4.430 20 10 GICDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc2ccccc2c1O ZINC000185710314 822812776 /nfs/dbraw/zinc/81/27/76/822812776.db2.gz ABIJFBVBQWEVQX-NQIIRXRSSA-N 1 0 388.511 4.430 20 10 GICDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1 ZINC000174621312 822813562 /nfs/dbraw/zinc/81/35/62/822813562.db2.gz USMHNDSFDWURRW-CYBMUJFWSA-N 1 0 383.420 4.016 20 10 GICDRO COc1ccc(O)c([C@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000186288996 822871527 /nfs/dbraw/zinc/87/15/27/822871527.db2.gz QYCNVWWRXKHNBI-KRWDZBQOSA-N 1 0 381.520 4.106 20 10 GICDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)nc1 ZINC000054388875 822880809 /nfs/dbraw/zinc/88/08/09/822880809.db2.gz OSPBFQYNWCQLSO-UHFFFAOYSA-N 1 0 375.472 4.100 20 10 GICDRO CCCCNC(=O)C1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000054465224 822887472 /nfs/dbraw/zinc/88/74/72/822887472.db2.gz KVJQWYWXOLFBSL-UHFFFAOYSA-N 1 0 384.520 4.146 20 10 GICDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186480113 822901897 /nfs/dbraw/zinc/90/18/97/822901897.db2.gz RLNOJJPUPSMRQM-UHFFFAOYSA-N 1 0 385.529 4.069 20 10 GICDRO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177902975 823544233 /nfs/dbraw/zinc/54/42/33/823544233.db2.gz DQBCUSZTCNBIGN-QGZVFWFLSA-N 1 0 379.483 4.248 20 10 GICDRO Oc1ccc(Br)cc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123954515 823554866 /nfs/dbraw/zinc/55/48/66/823554866.db2.gz UDKGBEXRFMZMMH-UHFFFAOYSA-N 1 0 390.306 4.006 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H](O)c1ccc(F)cc1 ZINC000124375743 823591568 /nfs/dbraw/zinc/59/15/68/823591568.db2.gz IQSWOWODDYXWGO-ZSDSOXJFSA-N 1 0 392.902 4.088 20 10 GICDRO COc1cc(Br)cc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1O ZINC000124724249 823621111 /nfs/dbraw/zinc/62/11/11/823621111.db2.gz IPAAVFQOAXSIAZ-UHFFFAOYSA-N 1 0 385.327 4.262 20 10 GICDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cnn1C(C)(C)C ZINC000191203866 823658899 /nfs/dbraw/zinc/65/88/99/823658899.db2.gz STQVPKPJJDFKKW-KRWDZBQOSA-N 1 0 384.568 4.006 20 10 GICDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)CC1 ZINC000063824191 823699687 /nfs/dbraw/zinc/69/96/87/823699687.db2.gz ZMLOEQBSDIQBCR-ZSOIEALJSA-N 1 0 387.357 4.289 20 10 GICDRO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 ZINC000163413430 823707427 /nfs/dbraw/zinc/70/74/27/823707427.db2.gz WZNWDUABQJIZIH-OAHLLOKOSA-N 1 0 396.457 4.170 20 10 GICDRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000191622710 823717164 /nfs/dbraw/zinc/71/71/64/823717164.db2.gz IVJOFFVLZBLBNO-UHFFFAOYSA-N 1 0 377.532 4.071 20 10 GICDRO COc1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000164173162 823783670 /nfs/dbraw/zinc/78/36/70/823783670.db2.gz ZGIAYJGWQOOXBP-UHFFFAOYSA-N 1 0 392.540 4.187 20 10 GICDRO CC[C@H]([NH2+][C@H](CCSC)c1nnc2ccccn21)c1ccc(N(C)C)cc1 ZINC000164261817 823790832 /nfs/dbraw/zinc/79/08/32/823790832.db2.gz PFNQFPOFSBHFAX-RBUKOAKNSA-N 1 0 383.565 4.330 20 10 GICDRO CC(=O)N1CCN(c2ccc(CNc3c(C)c(C)[nH+]c4ccccc43)cc2)CC1 ZINC000191856228 823797483 /nfs/dbraw/zinc/79/74/83/823797483.db2.gz OZEURWGBBPPMPJ-UHFFFAOYSA-N 1 0 388.515 4.132 20 10 GICDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CCCO2 ZINC000165193449 823838832 /nfs/dbraw/zinc/83/88/32/823838832.db2.gz RPJHZTTVCWEBPD-NRFANRHFSA-N 1 0 384.495 4.283 20 10 GICDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000165194926 823839396 /nfs/dbraw/zinc/83/93/96/823839396.db2.gz QDRUBPNQQBWACX-CQSZACIVSA-N 1 0 378.875 4.175 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1OC(F)F ZINC000165196736 823839564 /nfs/dbraw/zinc/83/95/64/823839564.db2.gz MOLWKFKMOAGCLI-ZDUSSCGKSA-N 1 0 398.400 4.254 20 10 GICDRO COc1cccc([C@H]2C[N@H+](Cc3c(O)ccc4ccc(OC)cc43)CCO2)c1 ZINC000166126695 823870061 /nfs/dbraw/zinc/87/00/61/823870061.db2.gz RRUDQMFEDCGEDW-HSZRJFAPSA-N 1 0 379.456 4.136 20 10 GICDRO Cc1ccc(O)c(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000187379895 823052851 /nfs/dbraw/zinc/05/28/51/823052851.db2.gz NQBJJRCIHQJULH-UHFFFAOYSA-N 1 0 392.421 4.114 20 10 GICDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H](O)COc1ccccc1Cl ZINC000121024975 823104677 /nfs/dbraw/zinc/10/46/77/823104677.db2.gz WJCBRFGGLRAORE-QGZVFWFLSA-N 1 0 387.863 4.081 20 10 GICDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000187822618 823140367 /nfs/dbraw/zinc/14/03/67/823140367.db2.gz LSUQWKKVHVQDDO-HYBUGGRVSA-N 1 0 382.523 4.387 20 10 GICDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2ccncc2)cc1F ZINC000121295113 823157188 /nfs/dbraw/zinc/15/71/88/823157188.db2.gz DXNVEVQSUWBECJ-UHFFFAOYSA-N 1 0 391.490 4.356 20 10 GICDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(CO)c1 ZINC000121631312 823219407 /nfs/dbraw/zinc/21/94/07/823219407.db2.gz ICXCPTKOVPTMCU-OAHLLOKOSA-N 1 0 376.447 4.100 20 10 GICDRO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000058075489 823359875 /nfs/dbraw/zinc/35/98/75/823359875.db2.gz ABVGISKPXNGKAD-LJQANCHMSA-N 1 0 385.508 4.327 20 10 GICDRO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1O ZINC000177156267 823385723 /nfs/dbraw/zinc/38/57/23/823385723.db2.gz JZBBHBUZUFCXLE-FQEVSTJZSA-N 1 0 383.419 4.063 20 10 GICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122680769 823393475 /nfs/dbraw/zinc/39/34/75/823393475.db2.gz UZRAKKYJLIJBNI-KRWDZBQOSA-N 1 0 387.955 4.402 20 10 GICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122680975 823393486 /nfs/dbraw/zinc/39/34/86/823393486.db2.gz UZRAKKYJLIJBNI-QGZVFWFLSA-N 1 0 387.955 4.402 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(OCc2nccn2C)cc1 ZINC000122924973 823434820 /nfs/dbraw/zinc/43/48/20/823434820.db2.gz RFPCVOGNPVFCCL-GOSISDBHSA-N 1 0 390.531 4.232 20 10 GICDRO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2C1 ZINC000189580558 823450797 /nfs/dbraw/zinc/45/07/97/823450797.db2.gz IVSGJZQCYUIAPU-UHFFFAOYSA-N 1 0 380.488 4.162 20 10 GICDRO COc1cc(O)c(C[NH2+]CCc2nc(C3CCCCC3)cs2)cc1OC ZINC000181342041 821773150 /nfs/dbraw/zinc/77/31/50/821773150.db2.gz VDQJZJYEVPAJDS-UHFFFAOYSA-N 1 0 376.522 4.246 20 10 GICDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000181426181 821820673 /nfs/dbraw/zinc/82/06/73/821820673.db2.gz QZSSPKOZFDAVED-UHFFFAOYSA-N 1 0 398.547 4.415 20 10 GICDRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000181581891 821888112 /nfs/dbraw/zinc/88/81/12/821888112.db2.gz GWCWTGVNCAFBMG-CYBMUJFWSA-N 1 0 384.421 4.419 20 10 GICDRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccc(N2CCOCC2)cc1 ZINC000181845994 822015492 /nfs/dbraw/zinc/01/54/92/822015492.db2.gz JIGOUQCBGWPVCD-ZWKOTPCHSA-N 1 0 392.503 4.028 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Br)c(OC)c(OC)c2)c1 ZINC000182433772 822241215 /nfs/dbraw/zinc/24/12/15/822241215.db2.gz SRPMCEQFGJSWRL-NSHDSACASA-N 1 0 396.281 4.031 20 10 GICDRO C[C@@H]([NH2+][C@H](c1ccccc1)c1ccncc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178705480 822404462 /nfs/dbraw/zinc/40/44/62/822404462.db2.gz QLKNSUORMGMXGI-HOYKHHGWSA-N 1 0 391.490 4.498 20 10 GICDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183117409 822426637 /nfs/dbraw/zinc/42/66/37/822426637.db2.gz UPOIZICNUJKTQH-NRFANRHFSA-N 1 0 377.488 4.214 20 10 GICDRO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000179555332 822502791 /nfs/dbraw/zinc/50/27/91/822502791.db2.gz QLUREMDRUQIIPD-SSKFGXFMSA-N 1 0 387.955 4.129 20 10 GICDRO CCOCc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1OC ZINC000179569986 822505251 /nfs/dbraw/zinc/50/52/51/822505251.db2.gz ASAXSZIFXYFCIM-OAQYLSRUSA-N 1 0 385.504 4.119 20 10 GICDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)COCc1ccco1 ZINC000179642932 822518606 /nfs/dbraw/zinc/51/86/06/822518606.db2.gz CQFKTCXIYHJJTB-NQIIRXRSSA-N 1 0 381.472 4.126 20 10 GICDRO CCN(Cc1ccccc1)c1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1 ZINC000179685096 822526879 /nfs/dbraw/zinc/52/68/79/822526879.db2.gz DBUJZVHNBTUKLY-UHFFFAOYSA-N 1 0 379.548 4.013 20 10 GICDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(F)cc3C(F)(F)F)c2)CC1 ZINC000184260183 822604935 /nfs/dbraw/zinc/60/49/35/822604935.db2.gz WCNGPFFVRHADKW-UHFFFAOYSA-N 1 0 395.400 4.239 20 10 GICDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc2ccccc2c1O ZINC000184853125 822700672 /nfs/dbraw/zinc/70/06/72/822700672.db2.gz YRNBQEDPEUSBJF-OXQOHEQNSA-N 1 0 382.529 4.331 20 10 GICDRO C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1O ZINC000185086868 822734894 /nfs/dbraw/zinc/73/48/94/822734894.db2.gz QMWUYPFPRSBGIW-QGZVFWFLSA-N 1 0 383.513 4.201 20 10 GICDRO CCOCc1cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1OC ZINC000051188532 822749930 /nfs/dbraw/zinc/74/99/30/822749930.db2.gz DIMACLBBLNUEBQ-HSZRJFAPSA-N 1 0 383.488 4.244 20 10 GICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c(O)c1 ZINC000185306594 822762812 /nfs/dbraw/zinc/76/28/12/822762812.db2.gz VJYCVZGQMXRZLR-ROUUACIJSA-N 1 0 381.520 4.369 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000185306544 822762888 /nfs/dbraw/zinc/76/28/88/822762888.db2.gz JXSGOKUJGGQJHX-IAGOWNOFSA-N 1 0 397.519 4.069 20 10 GICDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185306797 822763078 /nfs/dbraw/zinc/76/30/78/822763078.db2.gz BPGSNYINYYELBG-HZPDHXFCSA-N 1 0 385.483 4.199 20 10 GICDRO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@@H+]1C ZINC000174392185 822782765 /nfs/dbraw/zinc/78/27/65/822782765.db2.gz LMZDDNMYSGUMQL-PGRDOPGGSA-N 1 0 386.584 4.080 20 10 GICDRO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cc4c(cc3O)CCCC4)CC2)oc1C ZINC000185430423 822782881 /nfs/dbraw/zinc/78/28/81/822782881.db2.gz JZDNEZCWITWLPB-QGZVFWFLSA-N 1 0 397.563 4.439 20 10 GICDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)c(O)c1 ZINC000185447296 822785410 /nfs/dbraw/zinc/78/54/10/822785410.db2.gz UQSSBSKJEAJRFL-KRWDZBQOSA-N 1 0 390.487 4.268 20 10 GICDRO C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000185645633 822806163 /nfs/dbraw/zinc/80/61/63/822806163.db2.gz PIUOAMPFOATLFH-GOSISDBHSA-N 1 0 386.511 4.253 20 10 GICDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000186101382 822851812 /nfs/dbraw/zinc/85/18/12/822851812.db2.gz GBRHHEXGHRYTQT-CVEARBPZSA-N 1 0 388.483 4.238 20 10 GICDRO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3csc(C(C)C)n3)cc2F)CC1 ZINC000186328532 822876780 /nfs/dbraw/zinc/87/67/80/822876780.db2.gz IOWWMOCJNJTQSL-INIZCTEOSA-N 1 0 390.572 4.398 20 10 GICDRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(Br)cc1O ZINC000186351166 822880136 /nfs/dbraw/zinc/88/01/36/822880136.db2.gz STCPUSLHXJNYGL-DAIYRKSASA-N 1 0 391.309 4.031 20 10 GICDRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cc(Br)ccc1O ZINC000186357956 822881299 /nfs/dbraw/zinc/88/12/99/822881299.db2.gz BCDMYHBDXGEBKC-DAIYRKSASA-N 1 0 391.309 4.031 20 10 GICDRO COc1cccc([C@@H]2[C@@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)CCN2C2CC2)c1 ZINC000186503821 822905906 /nfs/dbraw/zinc/90/59/06/822905906.db2.gz DRRFCZLJXKCZQH-VSUDMRMVSA-N 1 0 382.504 4.038 20 10 GICDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000187202587 823024475 /nfs/dbraw/zinc/02/44/75/823024475.db2.gz AXFVCJUJMSALEX-RYUDHWBXSA-N 1 0 392.297 4.366 20 10 GICDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000125034845 823647033 /nfs/dbraw/zinc/64/70/33/823647033.db2.gz QXCDNONYGCNVJH-VGOFRKELSA-N 1 0 384.520 4.078 20 10 GICDRO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3c(O)ccc4ccccc43)n2)c1 ZINC000191567131 823701085 /nfs/dbraw/zinc/70/10/85/823701085.db2.gz BIMNCEWDXHXOFP-AWEZNQCLSA-N 1 0 375.428 4.455 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000163576903 823724037 /nfs/dbraw/zinc/72/40/37/823724037.db2.gz UATRXIWYMIJDJC-QGZVFWFLSA-N 1 0 397.544 4.047 20 10 GICDRO CCCCCNC(=O)C1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000164033701 823772218 /nfs/dbraw/zinc/77/22/18/823772218.db2.gz WYWCMFULPNHMKY-UHFFFAOYSA-N 1 0 390.568 4.217 20 10 GICDRO CCOc1cccc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1O ZINC000126164358 823803524 /nfs/dbraw/zinc/80/35/24/823803524.db2.gz KSZQLFHFWOVZIO-UHFFFAOYSA-N 1 0 397.519 4.218 20 10 GICDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CCCO2 ZINC000165193328 823838996 /nfs/dbraw/zinc/83/89/96/823838996.db2.gz RPJHZTTVCWEBPD-OAQYLSRUSA-N 1 0 384.495 4.283 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166454715 823877917 /nfs/dbraw/zinc/87/79/17/823877917.db2.gz YSBLCTFGKVDTDX-CYFREDJKSA-N 1 0 380.532 4.422 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166454953 823877979 /nfs/dbraw/zinc/87/79/79/823877979.db2.gz YSBLCTFGKVDTDX-DVECYGJZSA-N 1 0 380.532 4.422 20 10 GICDRO Fc1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)ccc1OC(F)F ZINC000168079770 823900203 /nfs/dbraw/zinc/90/02/03/823900203.db2.gz NCVONUGVOQXRDK-UHFFFAOYSA-N 1 0 382.451 4.270 20 10 GICDRO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C)c(C)cc1O ZINC000192476297 824005896 /nfs/dbraw/zinc/00/58/96/824005896.db2.gz CCIUEAYZULYYRS-UHFFFAOYSA-N 1 0 380.410 4.488 20 10 GICDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)sc(=O)n4C)cc2)CC1 ZINC000192557189 824030511 /nfs/dbraw/zinc/03/05/11/824030511.db2.gz ULTVLTAXAHIRLW-UHFFFAOYSA-N 1 0 381.545 4.126 20 10 GICDRO COc1cccc(C[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)c1O ZINC000120955093 823092185 /nfs/dbraw/zinc/09/21/85/823092185.db2.gz VVCYOAZPUMNSTH-UHFFFAOYSA-N 1 0 390.789 4.027 20 10 GICDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000187822597 823140297 /nfs/dbraw/zinc/14/02/97/823140297.db2.gz LSUQWKKVHVQDDO-YKSBVNFPSA-N 1 0 382.523 4.387 20 10 GICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)c2c1 ZINC000007076537 817754237 /nfs/dbraw/zinc/75/42/37/817754237.db2.gz ZGCNAZQXZNKIJC-UHFFFAOYSA-N 1 0 379.456 4.130 20 10 GICDRO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000007250737 817804445 /nfs/dbraw/zinc/80/44/45/817804445.db2.gz YJWABPKQTLMVGN-UHFFFAOYSA-N 1 0 379.426 4.232 20 10 GICDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(CO)c1 ZINC000122019438 823294189 /nfs/dbraw/zinc/29/41/89/823294189.db2.gz WVGQNTITDIZWAW-CRAIPNDOSA-N 1 0 376.447 4.100 20 10 GICDRO COc1ccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 ZINC000022790272 818861211 /nfs/dbraw/zinc/86/12/11/818861211.db2.gz ZARWHUVIFPYNGW-RUZDIDTESA-N 1 0 388.511 4.411 20 10 GICDRO Cc1ccc2cc(C[NH2+]Cc3ccc(N4CCC(CO)CC4)cc3)ccc2n1 ZINC000189278377 823385485 /nfs/dbraw/zinc/38/54/85/823385485.db2.gz FCUFQTDYGGAKKW-UHFFFAOYSA-N 1 0 375.516 4.042 20 10 GICDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000177235472 823406329 /nfs/dbraw/zinc/40/63/29/823406329.db2.gz VPVHXDRJAHVIRY-ZDUSSCGKSA-N 1 0 384.867 4.022 20 10 GICDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000177235490 823406415 /nfs/dbraw/zinc/40/64/15/823406415.db2.gz VPVHXDRJAHVIRY-CYBMUJFWSA-N 1 0 384.867 4.022 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122796293 823413734 /nfs/dbraw/zinc/41/37/34/823413734.db2.gz OYPKQDOWQTZUFU-SBUREZEXSA-N 1 0 386.511 4.307 20 10 GICDRO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000026615995 820121328 /nfs/dbraw/zinc/12/13/28/820121328.db2.gz GHXQTEAZUHCSRM-UHFFFAOYSA-N 1 0 378.447 4.033 20 10 GICDRO Cc1ccc2c(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2c1C ZINC000123303994 823493475 /nfs/dbraw/zinc/49/34/75/823493475.db2.gz RCKKVGISGISRQF-SFHVURJKSA-N 1 0 392.499 4.097 20 10 GICDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000181278721 821730991 /nfs/dbraw/zinc/73/09/91/821730991.db2.gz YLOSGUHYBIHMOW-NBCNXNJRSA-N 1 0 378.532 4.297 20 10 GICDRO CCC[N@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)Cc1ccccc1O ZINC000182203341 822145303 /nfs/dbraw/zinc/14/53/03/822145303.db2.gz HYXBHDYXIMYBFE-UHFFFAOYSA-N 1 0 380.444 4.246 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 ZINC000182404161 822231584 /nfs/dbraw/zinc/23/15/84/822231584.db2.gz NUOPWMAVEOJMPD-AWEZNQCLSA-N 1 0 381.451 4.065 20 10 GICDRO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000178189351 822347074 /nfs/dbraw/zinc/34/70/74/822347074.db2.gz ARVCJUASOWLUQX-GFCCVEGCSA-N 1 0 399.482 4.466 20 10 GICDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cccc(-c4cccnc4)c3)SC2=S)CC1 ZINC000178352417 822370508 /nfs/dbraw/zinc/37/05/08/822370508.db2.gz RNWPYCSZNJUOJE-CPNJWEJPSA-N 1 0 395.553 4.044 20 10 GICDRO COc1ccc2[nH]cc(C3CC[NH+](Cc4cc(OC)c(OC)cc4O)CC3)c2c1 ZINC000179847126 822565560 /nfs/dbraw/zinc/56/55/60/822565560.db2.gz PHPGLAMWDWCZNP-UHFFFAOYSA-N 1 0 396.487 4.279 20 10 GICDRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000179874385 822569363 /nfs/dbraw/zinc/56/93/63/822569363.db2.gz WUWHWLSUNLCHJB-UHFFFAOYSA-N 1 0 395.503 4.159 20 10 GICDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)c2ccc(F)cc2C1 ZINC000184515250 822648877 /nfs/dbraw/zinc/64/88/77/822648877.db2.gz KMLQHURVYQXKRQ-CWTRNNRKSA-N 1 0 376.859 4.329 20 10 GICDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000180504233 822692437 /nfs/dbraw/zinc/69/24/37/822692437.db2.gz TWQBBGOUYRJJMQ-ZBFHGGJFSA-N 1 0 382.323 4.304 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1cc2c(cc1O)CCCC2 ZINC000185017039 822725885 /nfs/dbraw/zinc/72/58/85/822725885.db2.gz MPWZUADTOSGIMH-CYBMUJFWSA-N 1 0 380.410 4.458 20 10 GICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)c(OC)c1OC ZINC000185067350 822731993 /nfs/dbraw/zinc/73/19/93/822731993.db2.gz JJLMVRWOLURYRU-LLVKDONJSA-N 1 0 396.281 4.031 20 10 GICDRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000185077815 822733866 /nfs/dbraw/zinc/73/38/66/822733866.db2.gz HTEFDHCLBWOVSK-CYBMUJFWSA-N 1 0 397.357 4.233 20 10 GICDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)c(O)c1 ZINC000185447275 822785440 /nfs/dbraw/zinc/78/54/40/822785440.db2.gz UQSSBSKJEAJRFL-QGZVFWFLSA-N 1 0 390.487 4.268 20 10 GICDRO C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc2ccccc2c1O ZINC000185498700 822791057 /nfs/dbraw/zinc/79/10/57/822791057.db2.gz ZTAMBDDGEHGALX-GFCCVEGCSA-N 1 0 376.382 4.117 20 10 GICDRO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000185593855 822800146 /nfs/dbraw/zinc/80/01/46/822800146.db2.gz IJFBJRCSDGHFPI-IVZQSRNASA-N 1 0 399.487 4.375 20 10 GICDRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185684910 822810030 /nfs/dbraw/zinc/81/00/30/822810030.db2.gz PBTHHOLNUFYLIU-RISCZKNCSA-N 1 0 379.302 4.055 20 10 GICDRO C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc2ccccc2c1O ZINC000185710297 822812758 /nfs/dbraw/zinc/81/27/58/822812758.db2.gz ABIJFBVBQWEVQX-RXVVDRJESA-N 1 0 388.511 4.430 20 10 GICDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000186101304 822851883 /nfs/dbraw/zinc/85/18/83/822851883.db2.gz AWOLYWLBGUESHY-MSOLQXFVSA-N 1 0 384.520 4.408 20 10 GICDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000186164478 822857312 /nfs/dbraw/zinc/85/73/12/822857312.db2.gz SINFYLLDBRUGJS-SJLPKXTDSA-N 1 0 383.513 4.449 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CCSCC1 ZINC000187023898 822999521 /nfs/dbraw/zinc/99/95/21/822999521.db2.gz QMRNDUJQRITLPI-CQSZACIVSA-N 1 0 388.499 4.163 20 10 GICDRO CO[C@@](C)(c1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1)C1CC1 ZINC000570251288 823019316 /nfs/dbraw/zinc/01/93/16/823019316.db2.gz NFKNBFLRSGRTBR-HSZRJFAPSA-N 1 0 394.519 4.111 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000175752286 823031970 /nfs/dbraw/zinc/03/19/70/823031970.db2.gz WMNXFWWDUPDJFW-HNNXBMFYSA-N 1 0 380.410 4.273 20 10 GICDRO Cc1ccc(-c2noc(Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)n2)o1 ZINC000570435587 823038132 /nfs/dbraw/zinc/03/81/32/823038132.db2.gz MLVCYCKZPDXYTL-UHFFFAOYSA-N 1 0 376.460 4.408 20 10 GICDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000124375354 823591460 /nfs/dbraw/zinc/59/14/60/823591460.db2.gz IQSWOWODDYXWGO-GXZWQRSESA-N 1 0 392.902 4.088 20 10 GICDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000125651844 823693497 /nfs/dbraw/zinc/69/34/97/823693497.db2.gz LUXFKAIJPRFMRG-MRXNPFEDSA-N 1 0 377.504 4.088 20 10 GICDRO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3c(O)ccc4ccccc43)n2)c1 ZINC000191567145 823701073 /nfs/dbraw/zinc/70/10/73/823701073.db2.gz BIMNCEWDXHXOFP-CQSZACIVSA-N 1 0 375.428 4.455 20 10 GICDRO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1C(F)(F)F)CC2 ZINC000163403385 823706839 /nfs/dbraw/zinc/70/68/39/823706839.db2.gz HMBZSJJXFWTKSX-FQEVSTJZSA-N 1 0 394.412 4.458 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000163586303 823725591 /nfs/dbraw/zinc/72/55/91/823725591.db2.gz HYHVITMEQKQUGT-KRWDZBQOSA-N 1 0 397.544 4.047 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000163589079 823726261 /nfs/dbraw/zinc/72/62/61/823726261.db2.gz CGRFZPZHRCYDGT-INIZCTEOSA-N 1 0 395.572 4.320 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000163615730 823728169 /nfs/dbraw/zinc/72/81/69/823728169.db2.gz NVCNATAZGXIBBP-GOSISDBHSA-N 1 0 378.545 4.276 20 10 GICDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000126171116 823805002 /nfs/dbraw/zinc/80/50/02/823805002.db2.gz KPMRECAWGJFHOI-UHFFFAOYSA-N 1 0 387.911 4.472 20 10 GICDRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000165091904 823833606 /nfs/dbraw/zinc/83/36/06/823833606.db2.gz MZTGBFWIJGVSPQ-SFHVURJKSA-N 1 0 397.538 4.411 20 10 GICDRO COc1ccc(N2CCC([NH2+]CC(C)(C)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000167861097 823897161 /nfs/dbraw/zinc/89/71/61/823897161.db2.gz IOKOQAGLRCPKLD-IBGZPJMESA-N 1 0 381.564 4.383 20 10 GICDRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCCO2 ZINC000126586362 823905830 /nfs/dbraw/zinc/90/58/30/823905830.db2.gz NVAFRBKTQBJQCG-NRFANRHFSA-N 1 0 386.923 4.489 20 10 GICDRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(N2CCCCCC2)cc1 ZINC000126675450 823925023 /nfs/dbraw/zinc/92/50/23/823925023.db2.gz XPQOIINAGYURII-IBGZPJMESA-N 1 0 381.568 4.278 20 10 GICDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc2ccccc21 ZINC000007242703 817802445 /nfs/dbraw/zinc/80/24/45/817802445.db2.gz WJQWOCYIAPQBGI-SFHVURJKSA-N 1 0 375.516 4.215 20 10 GICDRO CC(C)([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000188901240 823325261 /nfs/dbraw/zinc/32/52/61/823325261.db2.gz JNJGIOGKWNQLPM-UHFFFAOYSA-N 1 0 394.437 4.447 20 10 GICDRO COc1cc(O)c(C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)cc1OC ZINC000188953604 823333145 /nfs/dbraw/zinc/33/31/45/823333145.db2.gz XSAAXFSPQJGKMQ-UHFFFAOYSA-N 1 0 382.460 4.239 20 10 GICDRO CCOCCC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000122590806 823377981 /nfs/dbraw/zinc/37/79/81/823377981.db2.gz QWELMUQJSUMMSR-GOSISDBHSA-N 1 0 378.532 4.300 20 10 GICDRO COc1cc(O)c(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cc1OC ZINC000180648671 821382293 /nfs/dbraw/zinc/38/22/93/821382293.db2.gz CLXDZEKMOWIUPV-IBGZPJMESA-N 1 0 399.512 4.207 20 10 GICDRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000180749297 821433290 /nfs/dbraw/zinc/43/32/90/821433290.db2.gz YSQXKYSFLFOXSP-UHFFFAOYSA-N 1 0 385.577 4.331 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Br)ccc1O ZINC000181010755 821591521 /nfs/dbraw/zinc/59/15/21/821591521.db2.gz CBFQBDAJOBGLMO-ZDUSSCGKSA-N 1 0 376.298 4.001 20 10 GICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000181236341 821712192 /nfs/dbraw/zinc/71/21/92/821712192.db2.gz XWQIIPHWSMEEAD-JKSUJKDBSA-N 1 0 387.455 4.291 20 10 GICDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1OCC ZINC000181397273 821805710 /nfs/dbraw/zinc/80/57/10/821805710.db2.gz RNQQTGSCHGYNEU-ZDUSSCGKSA-N 1 0 375.440 4.382 20 10 GICDRO COc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1Br ZINC000182109216 822097247 /nfs/dbraw/zinc/09/72/47/822097247.db2.gz MEEIHVZGGVQURK-JTQLQIEISA-N 1 0 396.256 4.356 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 ZINC000182404178 822231447 /nfs/dbraw/zinc/23/14/47/822231447.db2.gz NUOPWMAVEOJMPD-CQSZACIVSA-N 1 0 381.451 4.065 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](c2cccs2)C(C)(C)C)c1 ZINC000182436648 822242114 /nfs/dbraw/zinc/24/21/14/822242114.db2.gz PGOIBYCHJIWRRD-BFUOFWGJSA-N 1 0 376.522 4.017 20 10 GICDRO C[C@@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000177951318 822255293 /nfs/dbraw/zinc/25/52/93/822255293.db2.gz CEHZRVNMKJKTBV-KUHUBIRLSA-N 1 0 390.886 4.490 20 10 GICDRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000178234604 822357236 /nfs/dbraw/zinc/35/72/36/822357236.db2.gz GNJCEUHCKGVUOJ-FQEVSTJZSA-N 1 0 378.564 4.387 20 10 GICDRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178365366 822371497 /nfs/dbraw/zinc/37/14/97/822371497.db2.gz AVFFWSPXPZVEES-HNNXBMFYSA-N 1 0 387.465 4.493 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178741956 822406503 /nfs/dbraw/zinc/40/65/03/822406503.db2.gz BXWVKRLVVDBDNJ-KRWDZBQOSA-N 1 0 379.483 4.248 20 10 GICDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)Cc1ccccc1O ZINC000045780806 822413112 /nfs/dbraw/zinc/41/31/12/822413112.db2.gz JEBXHRUBGCNDEZ-GOSISDBHSA-N 1 0 381.520 4.108 20 10 GICDRO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(-c2cccs2)n1 ZINC000183513543 822488292 /nfs/dbraw/zinc/48/82/92/822488292.db2.gz WSLIKFHPYTUCBW-GOSISDBHSA-N 1 0 383.517 4.035 20 10 GICDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000179515918 822494837 /nfs/dbraw/zinc/49/48/37/822494837.db2.gz QZVSVEJDIVWEGD-OALUTQOASA-N 1 0 390.531 4.126 20 10 GICDRO CCN1CC[C@H]([NH2+]Cc2cccc(OC)c2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180366121 822670837 /nfs/dbraw/zinc/67/08/37/822670837.db2.gz DWZDPEFYVDOYDX-HKUYNNGSSA-N 1 0 378.875 4.118 20 10 GICDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc2ccccc2c1O ZINC000184894288 822708954 /nfs/dbraw/zinc/70/89/54/822708954.db2.gz TYTDZSUKMDNCCJ-SFHVURJKSA-N 1 0 376.500 4.228 20 10 GICDRO C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1cc2c(cc1O)CCCC2 ZINC000185019058 822725815 /nfs/dbraw/zinc/72/58/15/822725815.db2.gz YRWXJFUPPOOMGH-CYBMUJFWSA-N 1 0 380.410 4.458 20 10 GICDRO C[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)ccc1O ZINC000185024910 822726694 /nfs/dbraw/zinc/72/66/94/822726694.db2.gz SSSPERBIFWDPLR-LBPRGKRZSA-N 1 0 383.389 4.265 20 10 GICDRO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185049230 822729255 /nfs/dbraw/zinc/72/92/55/822729255.db2.gz MAPWFGBWFLKDMF-VGOFRKELSA-N 1 0 378.516 4.285 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000185118866 822739280 /nfs/dbraw/zinc/73/92/80/822739280.db2.gz AUXHRNHANGSQFK-GOSISDBHSA-N 1 0 394.559 4.331 20 10 GICDRO CCOc1ccc(O)c(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000174291497 822764278 /nfs/dbraw/zinc/76/42/78/822764278.db2.gz BZXDTIUVFDTPED-UHFFFAOYSA-N 1 0 397.519 4.218 20 10 GICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000174372452 822779931 /nfs/dbraw/zinc/77/99/31/822779931.db2.gz KOVSUMHTIHYQOQ-AWEZNQCLSA-N 1 0 391.309 4.394 20 10 GICDRO CC[N@H+](Cc1cc(Br)ccc1O)Cc1cc2ccccc2[nH]c1=O ZINC000174423895 822788088 /nfs/dbraw/zinc/78/80/88/822788088.db2.gz BFZCMSKEIDMIJC-UHFFFAOYSA-N 1 0 387.277 4.018 20 10 GICDRO CC[C@](C)([NH2+]Cc1cc(Br)cc(OC)c1O)c1nc(C)cs1 ZINC000174502865 822797733 /nfs/dbraw/zinc/79/77/33/822797733.db2.gz GKVMMWVIDRVXBW-INIZCTEOSA-N 1 0 385.327 4.343 20 10 GICDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186520351 822907713 /nfs/dbraw/zinc/90/77/13/822907713.db2.gz QFFQAHJTIIZTQK-BBRMVZONSA-N 1 0 395.330 4.116 20 10 GICDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)cc1 ZINC000186959082 822987273 /nfs/dbraw/zinc/98/72/73/822987273.db2.gz ZVJGDOAWOMHFBY-LBPRGKRZSA-N 1 0 377.282 4.272 20 10 GICDRO COc1ccc(O)c(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)c1 ZINC000125532898 823683226 /nfs/dbraw/zinc/68/32/26/823683226.db2.gz HVWCOMVSAXVQRK-UHFFFAOYSA-N 1 0 379.504 4.233 20 10 GICDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000163422459 823708224 /nfs/dbraw/zinc/70/82/24/823708224.db2.gz KMTJEQRUGKOMJO-UHFFFAOYSA-N 1 0 388.471 4.407 20 10 GICDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3cccc(C)c3O)CC2)no1 ZINC000191631567 823719001 /nfs/dbraw/zinc/71/90/01/823719001.db2.gz GFESNXCUSRCOHM-UHFFFAOYSA-N 1 0 379.460 4.139 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC(F)(F)F ZINC000165172104 823838033 /nfs/dbraw/zinc/83/80/33/823838033.db2.gz RBGGPCSLWJPEGJ-CQSZACIVSA-N 1 0 398.400 4.412 20 10 GICDRO OC1CCN(c2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cc2F)CC1 ZINC000166284327 823874400 /nfs/dbraw/zinc/87/44/00/823874400.db2.gz RZMMUGPAKJOMAA-CVDCTZTESA-N 1 0 398.522 4.044 20 10 GICDRO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000168405326 823902690 /nfs/dbraw/zinc/90/26/90/823902690.db2.gz XFCPMTFJKVPIBG-QGZVFWFLSA-N 1 0 385.577 4.029 20 10 GICDRO Cc1cc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)c(C)n1C1CC1 ZINC000170738284 823957878 /nfs/dbraw/zinc/95/78/78/823957878.db2.gz CGDPIMQQCLPVJR-LICLKQGHSA-N 1 0 391.606 4.229 20 10 GICDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000187379905 823052689 /nfs/dbraw/zinc/05/26/89/823052689.db2.gz KRDFVIWGZCSRRB-DXCKQFNASA-N 1 0 386.355 4.168 20 10 GICDRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120818478 823070664 /nfs/dbraw/zinc/07/06/64/823070664.db2.gz DPJTUEMVMDFFGF-CVDCTZTESA-N 1 0 397.538 4.150 20 10 GICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2scnc2C2CC2)C1 ZINC000571723395 823225196 /nfs/dbraw/zinc/22/51/96/823225196.db2.gz TZTFMZOQUHLRLZ-UHFFFAOYSA-N 1 0 394.544 4.380 20 10 GICDRO Cc1cccn2c(=O)cc(C[N@H+](Cc3ccccc3O)[C@H](C)c3ccccc3)nc12 ZINC000176694419 823269511 /nfs/dbraw/zinc/26/95/11/823269511.db2.gz CMCRMZXSDXDZDT-LJQANCHMSA-N 1 0 399.494 4.472 20 10 GICDRO CN(C)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000017318044 818509459 /nfs/dbraw/zinc/50/94/59/818509459.db2.gz ZEUZHGBAVRZALI-UHFFFAOYSA-N 1 0 383.499 4.290 20 10 GICDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1OCc1cccnc1 ZINC000058474632 823397028 /nfs/dbraw/zinc/39/70/28/823397028.db2.gz MDAFOCSYTZRBAU-UHFFFAOYSA-N 1 0 395.478 4.164 20 10 GICDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1OC ZINC000180696886 821400206 /nfs/dbraw/zinc/40/02/06/821400206.db2.gz QAZUBXCGSRCBFH-UXHICEINSA-N 1 0 385.504 4.278 20 10 GICDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)cc1OC ZINC000180696583 821400215 /nfs/dbraw/zinc/40/02/15/821400215.db2.gz JLRCKHFFCABUOQ-WMZOPIPTSA-N 1 0 391.533 4.339 20 10 GICDRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000181384128 821798921 /nfs/dbraw/zinc/79/89/21/821798921.db2.gz ASGSWVNISRBXTF-HNNXBMFYSA-N 1 0 391.606 4.044 20 10 GICDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1O ZINC000181430327 821822959 /nfs/dbraw/zinc/82/29/59/821822959.db2.gz BIDJWIUYBLIBKM-GOSISDBHSA-N 1 0 381.394 4.302 20 10 GICDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000178296606 822364500 /nfs/dbraw/zinc/36/45/00/822364500.db2.gz CSFFIALCOHESBL-SFHVURJKSA-N 1 0 386.561 4.072 20 10 GICDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)cc2F)CC1 ZINC000178536226 822389216 /nfs/dbraw/zinc/38/92/16/822389216.db2.gz SHQXVZONYVYHBK-LJQANCHMSA-N 1 0 390.499 4.253 20 10 GICDRO C[C@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178705444 822404481 /nfs/dbraw/zinc/40/44/81/822404481.db2.gz QLKNSUORMGMXGI-UUOWRZLLSA-N 1 0 391.490 4.498 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178713927 822405045 /nfs/dbraw/zinc/40/50/45/822405045.db2.gz LQVASGTYIHFINH-GFCCVEGCSA-N 1 0 399.329 4.337 20 10 GICDRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000183566422 822495492 /nfs/dbraw/zinc/49/54/92/822495492.db2.gz IMZBQBWCQXJVBR-IBGZPJMESA-N 1 0 396.531 4.326 20 10 GICDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000179948105 822583461 /nfs/dbraw/zinc/58/34/61/822583461.db2.gz HGRYIMMYXQRHOW-GOSISDBHSA-N 1 0 386.561 4.321 20 10 GICDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(N(C)C)cc1 ZINC000184537080 822653154 /nfs/dbraw/zinc/65/31/54/822653154.db2.gz FPOFKBILAJXMRR-DHIUTWEWSA-N 1 0 383.511 4.426 20 10 GICDRO Oc1cc2c(cc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)OCO2 ZINC000180509655 822693774 /nfs/dbraw/zinc/69/37/74/822693774.db2.gz DEWXGPMMFABPOQ-NVXWUHKLSA-N 1 0 375.490 4.051 20 10 GICDRO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1cc2c(cc1O)CCCC2 ZINC000185010988 822725011 /nfs/dbraw/zinc/72/50/11/822725011.db2.gz VBUARMLNTOIQMI-QGZVFWFLSA-N 1 0 378.516 4.244 20 10 GICDRO COc1cccc(Oc2ccc(C[NH2+][C@H](C)c3cc(OC)ccc3O)cn2)c1 ZINC000185057420 822730279 /nfs/dbraw/zinc/73/02/79/822730279.db2.gz CTHWVVIAAXWMSA-OAHLLOKOSA-N 1 0 380.444 4.448 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1cc(F)ccc1O ZINC000185306782 822763019 /nfs/dbraw/zinc/76/30/19/822763019.db2.gz BPGSNYINYYELBG-JKSUJKDBSA-N 1 0 385.483 4.199 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185403437 822779382 /nfs/dbraw/zinc/77/93/82/822779382.db2.gz BIVQSWJGWFNPDI-HZPDHXFCSA-N 1 0 378.513 4.089 20 10 GICDRO C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1cc(F)ccc1O ZINC000185447367 822785401 /nfs/dbraw/zinc/78/54/01/822785401.db2.gz MJQKAKPOJSUOMK-HNNXBMFYSA-N 1 0 394.450 4.099 20 10 GICDRO COc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cc1Cl ZINC000174912933 822854851 /nfs/dbraw/zinc/85/48/51/822854851.db2.gz UYLDELDFIZYFDO-OQLLNIDSSA-N 1 0 398.981 4.138 20 10 GICDRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(Br)cc1O ZINC000186351148 822880154 /nfs/dbraw/zinc/88/01/54/822880154.db2.gz STCPUSLHXJNYGL-ISWZSGDOSA-N 1 0 391.309 4.031 20 10 GICDRO CNC(=O)c1ccc(C[N@H+](C)Cc2c3c(ccc2O)oc2c3CCCC2)cc1 ZINC000054443179 822886465 /nfs/dbraw/zinc/88/64/65/822886465.db2.gz NOUVBJSVMQPTKZ-UHFFFAOYSA-N 1 0 378.472 4.009 20 10 GICDRO Cc1cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(O)c(C(C)(C)C)c1 ZINC000054471323 822888197 /nfs/dbraw/zinc/88/81/97/822888197.db2.gz GWHDUKPYVUBCNV-QGZVFWFLSA-N 1 0 386.580 4.469 20 10 GICDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175647754 823012564 /nfs/dbraw/zinc/01/25/64/823012564.db2.gz XRBCDRZZHLMHBA-DENIHFKCSA-N 1 0 395.547 4.367 20 10 GICDRO CC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000163596851 823726628 /nfs/dbraw/zinc/72/66/28/823726628.db2.gz IYEYRWVMSACMKI-FQEVSTJZSA-N 1 0 384.545 4.252 20 10 GICDRO COc1cc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000164262743 823790989 /nfs/dbraw/zinc/79/09/89/823790989.db2.gz HOYGFEBGABQSRS-INIZCTEOSA-N 1 0 390.568 4.071 20 10 GICDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)ccc1SC ZINC000165190440 823839060 /nfs/dbraw/zinc/83/90/60/823839060.db2.gz AVQREVQTDKFZHL-HNNXBMFYSA-N 1 0 390.524 4.244 20 10 GICDRO OC1CCN(c2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cc2F)CC1 ZINC000166284440 823874671 /nfs/dbraw/zinc/87/46/71/823874671.db2.gz RZMMUGPAKJOMAA-AUSIDOKSSA-N 1 0 398.522 4.044 20 10 GICDRO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000168405227 823902569 /nfs/dbraw/zinc/90/25/69/823902569.db2.gz XFCPMTFJKVPIBG-KRWDZBQOSA-N 1 0 385.577 4.029 20 10 GICDRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120818740 823070585 /nfs/dbraw/zinc/07/05/85/823070585.db2.gz DPJTUEMVMDFFGF-WMZHIEFXSA-N 1 0 397.538 4.150 20 10 GICDRO CCN(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000057625775 823316328 /nfs/dbraw/zinc/31/63/28/823316328.db2.gz LGRCVUIQQSCXCF-UHFFFAOYSA-N 1 0 379.548 4.157 20 10 GICDRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000017318040 818509256 /nfs/dbraw/zinc/50/92/56/818509256.db2.gz ZSIJCIYMEQULRG-UHFFFAOYSA-N 1 0 386.902 4.388 20 10 GICDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000122459876 823357472 /nfs/dbraw/zinc/35/74/72/823357472.db2.gz FBTHINQSOXZQBK-ZDUSSCGKSA-N 1 0 393.890 4.061 20 10 GICDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000122460081 823357739 /nfs/dbraw/zinc/35/77/39/823357739.db2.gz FBTHINQSOXZQBK-CYBMUJFWSA-N 1 0 393.890 4.061 20 10 GICDRO CO[C@H](c1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1)C(C)C ZINC000572863909 823410860 /nfs/dbraw/zinc/41/08/60/823410860.db2.gz KOWNUYUCZVMZAC-NRFANRHFSA-N 1 0 382.508 4.183 20 10 GICDRO CCN(C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1)CC(F)(F)F ZINC000177637610 823505769 /nfs/dbraw/zinc/50/57/69/823505769.db2.gz XPEKYFXSBGRYFT-AWEZNQCLSA-N 1 0 388.474 4.101 20 10 GICDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)c1 ZINC000180911341 821532263 /nfs/dbraw/zinc/53/22/63/821532263.db2.gz CABHOPGYWDBDBX-IBGZPJMESA-N 1 0 396.531 4.470 20 10 GICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000181236375 821712413 /nfs/dbraw/zinc/71/24/13/821712413.db2.gz XWQIIPHWSMEEAD-HZPDHXFCSA-N 1 0 387.455 4.291 20 10 GICDRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(N4CCOCC4)c(F)c3)c21 ZINC000181339449 821770389 /nfs/dbraw/zinc/77/03/89/821770389.db2.gz FLVHJHBXNJUHJD-INIZCTEOSA-N 1 0 397.494 4.046 20 10 GICDRO Cc1ccc([C@H]([NH2+]Cc2cccc(C)c2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181348228 821777515 /nfs/dbraw/zinc/77/75/15/821777515.db2.gz ZVXGCZCINYFTGT-QFIPXVFZSA-N 1 0 395.524 4.292 20 10 GICDRO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181710147 821954399 /nfs/dbraw/zinc/95/43/99/821954399.db2.gz HUGOMZDLGLSSGF-SFYKDHMMSA-N 1 0 398.522 4.481 20 10 GICDRO C[C@@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181710125 821954523 /nfs/dbraw/zinc/95/45/23/821954523.db2.gz HUGOMZDLGLSSGF-MSYCTHLASA-N 1 0 398.522 4.481 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)c1 ZINC000182435701 822242071 /nfs/dbraw/zinc/24/20/71/822242071.db2.gz ONDRNZDIGZJBKK-HNNXBMFYSA-N 1 0 388.483 4.018 20 10 GICDRO O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000177973296 822264655 /nfs/dbraw/zinc/26/46/55/822264655.db2.gz WWPABUPGCAVBJT-UHFFFAOYSA-N 1 0 397.950 4.335 20 10 GICDRO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000178189363 822347324 /nfs/dbraw/zinc/34/73/24/822347324.db2.gz ARVCJUASOWLUQX-LBPRGKRZSA-N 1 0 399.482 4.466 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc2ccccc2n1 ZINC000178538559 822389363 /nfs/dbraw/zinc/38/93/63/822389363.db2.gz JBQLWPFYMAOVCL-SFHVURJKSA-N 1 0 375.516 4.294 20 10 GICDRO Cn1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)c(-c2ccc(C#N)cc2)n1 ZINC000183244350 822447569 /nfs/dbraw/zinc/44/75/69/822447569.db2.gz GSFSEIFYOUWPCB-UHFFFAOYSA-N 1 0 398.466 4.460 20 10 GICDRO COc1cc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)ccc1OCc1ccncc1 ZINC000180487649 822689964 /nfs/dbraw/zinc/68/99/64/822689964.db2.gz DSVOWENPLJKKIZ-OAHLLOKOSA-N 1 0 382.435 4.365 20 10 GICDRO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180528999 822696667 /nfs/dbraw/zinc/69/66/67/822696667.db2.gz YXNPIPXBGZNOSQ-OAHLLOKOSA-N 1 0 394.437 4.157 20 10 GICDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(O)c1 ZINC000185024824 822726651 /nfs/dbraw/zinc/72/66/51/822726651.db2.gz BYWUHSMJLPMXHZ-AWEZNQCLSA-N 1 0 379.426 4.434 20 10 GICDRO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185049214 822729253 /nfs/dbraw/zinc/72/92/53/822729253.db2.gz MAPWFGBWFLKDMF-HTAPYJJXSA-N 1 0 378.516 4.285 20 10 GICDRO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109448 822738296 /nfs/dbraw/zinc/73/82/96/822738296.db2.gz QBOGNLTVLYPEQD-HZPDHXFCSA-N 1 0 398.528 4.208 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2c(cc1O)CCCC2 ZINC000185118385 822739274 /nfs/dbraw/zinc/73/92/74/822739274.db2.gz VCZUPRXPLOAHEU-MRXNPFEDSA-N 1 0 398.522 4.222 20 10 GICDRO Cc1ccc([C@H]([NH2+]Cc2ccccc2O)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000174574475 822806924 /nfs/dbraw/zinc/80/69/24/822806924.db2.gz YUKGDWRTFRIWGF-HSZRJFAPSA-N 1 0 395.524 4.292 20 10 GICDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186520369 822907853 /nfs/dbraw/zinc/90/78/53/822907853.db2.gz QFFQAHJTIIZTQK-CJNGLKHVSA-N 1 0 395.330 4.116 20 10 GICDRO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000175239497 822911758 /nfs/dbraw/zinc/91/17/58/822911758.db2.gz JSPAGOXBVMHVAJ-UHFFFAOYSA-N 1 0 388.511 4.213 20 10 GICDRO CN1c2ccc(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)cc2CCC1=O ZINC000186749575 822949329 /nfs/dbraw/zinc/94/93/29/822949329.db2.gz CNWHPQYOPOOXOP-UHFFFAOYSA-N 1 0 377.532 4.218 20 10 GICDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000187202605 823024374 /nfs/dbraw/zinc/02/43/74/823024374.db2.gz AXFVCJUJMSALEX-VXGBXAGGSA-N 1 0 392.297 4.366 20 10 GICDRO COc1ccc2nc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)sc2c1 ZINC000187243881 823029718 /nfs/dbraw/zinc/02/97/18/823029718.db2.gz BYOORCSEASOGQY-KRWDZBQOSA-N 1 0 384.501 4.192 20 10 GICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000177929267 823547512 /nfs/dbraw/zinc/54/75/12/823547512.db2.gz XFYGJPRKVJSFCR-LJQANCHMSA-N 1 0 375.516 4.204 20 10 GICDRO Oc1ccc(Br)cc1C[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000124715166 823620311 /nfs/dbraw/zinc/62/03/11/823620311.db2.gz VETNSNHNOKZWTL-UHFFFAOYSA-N 1 0 398.247 4.228 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(N2CCCCCC2)cc1 ZINC000124786181 823626093 /nfs/dbraw/zinc/62/60/93/823626093.db2.gz WLAQCCQHIAFFOZ-IBGZPJMESA-N 1 0 375.520 4.499 20 10 GICDRO COc1ccc(N2CCC([NH2+]C3CCN([C@@H](C)c4ccccc4)CC3)CC2)cc1 ZINC000125123144 823653260 /nfs/dbraw/zinc/65/32/60/823653260.db2.gz UYUZCUVQHMZKAC-FQEVSTJZSA-N 1 0 393.575 4.479 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000163622612 823728743 /nfs/dbraw/zinc/72/87/43/823728743.db2.gz GOXNNHRQGPGCMQ-LJQANCHMSA-N 1 0 392.572 4.335 20 10 GICDRO CCCOCc1ccccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163651285 823732377 /nfs/dbraw/zinc/73/23/77/823732377.db2.gz LWRWIVMZBZZZMD-GOSISDBHSA-N 1 0 386.511 4.440 20 10 GICDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1O ZINC000164258206 823790450 /nfs/dbraw/zinc/79/04/50/823790450.db2.gz MRSNOLUQFGNSTC-INIZCTEOSA-N 1 0 397.450 4.278 20 10 GICDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000126807424 823956247 /nfs/dbraw/zinc/95/62/47/823956247.db2.gz GRSUQJFOQNTGNV-XLIONFOSSA-N 1 0 387.543 4.258 20 10 GICDRO O=C(Nc1ccccc1)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000120810095 823068701 /nfs/dbraw/zinc/06/87/01/823068701.db2.gz GVEIZNKGGRORTQ-UHFFFAOYSA-N 1 0 389.293 4.005 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@H](C)CCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000121350343 823168273 /nfs/dbraw/zinc/16/82/73/823168273.db2.gz OJSALELOWXXKBR-QGZVFWFLSA-N 1 0 382.504 4.004 20 10 GICDRO COc1cc(Br)cc(C[NH+]2CCC(OCCC(C)C)CC2)c1O ZINC000121605767 823214821 /nfs/dbraw/zinc/21/48/21/823214821.db2.gz BPIYYJRILXRTSB-UHFFFAOYSA-N 1 0 386.330 4.190 20 10 GICDRO Cc1cccn2c(=O)cc(C[N@H+](Cc3ccccc3O)[C@@H](C)c3ccccc3)nc12 ZINC000176694400 823269578 /nfs/dbraw/zinc/26/95/78/823269578.db2.gz CMCRMZXSDXDZDT-IBGZPJMESA-N 1 0 399.494 4.472 20 10 GICDRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000122014537 823293166 /nfs/dbraw/zinc/29/31/66/823293166.db2.gz ANQHYRWQGJCJAP-OAQYLSRUSA-N 1 0 386.923 4.489 20 10 GICDRO CCOc1cccc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1O ZINC000122648514 823387477 /nfs/dbraw/zinc/38/74/77/823387477.db2.gz PZDQZETXDFDOBC-UZUQRXQVSA-N 1 0 385.504 4.206 20 10 GICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000122693728 823395873 /nfs/dbraw/zinc/39/58/73/823395873.db2.gz CJKKJMNBQODIAY-SFHVURJKSA-N 1 0 378.520 4.224 20 10 GICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1F ZINC000058474655 823396903 /nfs/dbraw/zinc/39/69/03/823396903.db2.gz TZKPVXOJEJIJED-UHFFFAOYSA-N 1 0 392.400 4.386 20 10 GICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000177227674 823404520 /nfs/dbraw/zinc/40/45/20/823404520.db2.gz PGHFTRYTYVSSRW-HNNXBMFYSA-N 1 0 394.437 4.401 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122796715 823413769 /nfs/dbraw/zinc/41/37/69/823413769.db2.gz OYPKQDOWQTZUFU-GAJHUEQPSA-N 1 0 386.511 4.307 20 10 GICDRO CCN(C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1)CC(F)(F)F ZINC000177636683 823505502 /nfs/dbraw/zinc/50/55/02/823505502.db2.gz YXEHRXQCMJMXHR-HNNXBMFYSA-N 1 0 396.453 4.260 20 10 GICDRO CCN(C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1)CC(F)(F)F ZINC000177637624 823505621 /nfs/dbraw/zinc/50/56/21/823505621.db2.gz XPEKYFXSBGRYFT-CQSZACIVSA-N 1 0 388.474 4.101 20 10 GICDRO COc1ccc(N2CCC([NH2+]Cc3ccccc3-n3nc(C)cc3C)CC2)cc1 ZINC000123536851 823518915 /nfs/dbraw/zinc/51/89/15/823518915.db2.gz ONDMUXNGUXCWSH-UHFFFAOYSA-N 1 0 390.531 4.256 20 10 GICDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044277383 821558454 /nfs/dbraw/zinc/55/84/54/821558454.db2.gz HAXUBGZDSICBES-UHFFFAOYSA-N 1 0 380.536 4.402 20 10 GICDRO CC[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395742 821805235 /nfs/dbraw/zinc/80/52/35/821805235.db2.gz SURTUGKNLAWEEA-RTBURBONSA-N 1 0 377.326 4.289 20 10 GICDRO COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)c3cc(OC)ccc3O)cs2)c1 ZINC000182435138 822241592 /nfs/dbraw/zinc/24/15/92/822241592.db2.gz KWMGVOHOGVWYAB-ZDUSSCGKSA-N 1 0 398.484 4.162 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000177973971 822264502 /nfs/dbraw/zinc/26/45/02/822264502.db2.gz NQTPFWZGQNLLLU-LJQANCHMSA-N 1 0 390.531 4.450 20 10 GICDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)cc1Cn1cccn1 ZINC000177975316 822265444 /nfs/dbraw/zinc/26/54/44/822265444.db2.gz VFCHSDFHYLQSIL-IBGZPJMESA-N 1 0 390.531 4.391 20 10 GICDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000178538317 822389481 /nfs/dbraw/zinc/38/94/81/822389481.db2.gz BCMTYNGCIHAYQR-NRFANRHFSA-N 1 0 386.536 4.361 20 10 GICDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000045780165 822412864 /nfs/dbraw/zinc/41/28/64/822412864.db2.gz WGGHFQWBKXOLFY-SFHVURJKSA-N 1 0 381.520 4.108 20 10 GICDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183027379 822413894 /nfs/dbraw/zinc/41/38/94/822413894.db2.gz KFJMQCSHQNJMLJ-FQEVSTJZSA-N 1 0 396.531 4.100 20 10 GICDRO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000178850997 822416240 /nfs/dbraw/zinc/41/62/40/822416240.db2.gz VNXJLWWHIOZYSQ-UHFFFAOYSA-N 1 0 376.456 4.080 20 10 GICDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183117387 822426675 /nfs/dbraw/zinc/42/66/75/822426675.db2.gz UPOIZICNUJKTQH-OAQYLSRUSA-N 1 0 377.488 4.214 20 10 GICDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183203087 822440834 /nfs/dbraw/zinc/44/08/34/822440834.db2.gz JOPRYYNUCVXWCG-KRWDZBQOSA-N 1 0 394.494 4.007 20 10 GICDRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000179748292 822542028 /nfs/dbraw/zinc/54/20/28/822542028.db2.gz FPZGKLHQQRXPMK-UHFFFAOYSA-N 1 0 391.559 4.205 20 10 GICDRO O=C(c1ccccc1F)N1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000180002055 822593612 /nfs/dbraw/zinc/59/36/12/822593612.db2.gz XSYMBMNSDMHVBG-UHFFFAOYSA-N 1 0 395.522 4.164 20 10 GICDRO COc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc(Br)c1OC ZINC000180507322 822693350 /nfs/dbraw/zinc/69/33/50/822693350.db2.gz VOSKQALKVGEYSB-CYBMUJFWSA-N 1 0 393.325 4.383 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cc2c(cc1O)CCCC2 ZINC000185031382 822727231 /nfs/dbraw/zinc/72/72/31/822727231.db2.gz WDKHXNSQOGRNMO-KURKYZTESA-N 1 0 395.547 4.130 20 10 GICDRO COc1ccc(Oc2cc(C[NH2+][C@H](C)c3cc(OC)ccc3O)ccn2)cc1 ZINC000185061551 822731057 /nfs/dbraw/zinc/73/10/57/822731057.db2.gz CKCSQQBHUVHOFD-OAHLLOKOSA-N 1 0 380.444 4.448 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc2c(cc1O)CCCC2 ZINC000185072251 822732803 /nfs/dbraw/zinc/73/28/03/822732803.db2.gz FENQRIIYTSQKSF-MRXNPFEDSA-N 1 0 384.495 4.098 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc2c(cc1O)CCCC2 ZINC000185072236 822732855 /nfs/dbraw/zinc/73/28/55/822732855.db2.gz FENQRIIYTSQKSF-INIZCTEOSA-N 1 0 384.495 4.098 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2ccccc2c1O ZINC000185118346 822739311 /nfs/dbraw/zinc/73/93/11/822739311.db2.gz KXYBGCIAICXNBP-MRXNPFEDSA-N 1 0 394.490 4.496 20 10 GICDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)s1 ZINC000050924198 822742752 /nfs/dbraw/zinc/74/27/52/822742752.db2.gz VWVWXHKGHOLKKO-UHFFFAOYSA-N 1 0 380.513 4.310 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185403380 822779428 /nfs/dbraw/zinc/77/94/28/822779428.db2.gz BIVQSWJGWFNPDI-HOTGVXAUSA-N 1 0 378.513 4.089 20 10 GICDRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3cc(F)ccc3O)CC2)cs1 ZINC000185423418 822781985 /nfs/dbraw/zinc/78/19/85/822781985.db2.gz PPNWAWKHQLWLND-AWEZNQCLSA-N 1 0 377.529 4.113 20 10 GICDRO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cc4c(cc3O)CCCC4)CC2)oc1C ZINC000185430399 822782786 /nfs/dbraw/zinc/78/27/86/822782786.db2.gz JZDNEZCWITWLPB-KRWDZBQOSA-N 1 0 397.563 4.439 20 10 GICDRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185683553 822809757 /nfs/dbraw/zinc/80/97/57/822809757.db2.gz QJGDCCHGZMOBDU-RISCZKNCSA-N 1 0 379.302 4.055 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)c1 ZINC000185758850 822818475 /nfs/dbraw/zinc/81/84/75/822818475.db2.gz MTYOKEBCRMKJRC-OSPHWJPCSA-N 1 0 393.483 4.364 20 10 GICDRO C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1cc2c(cc1O)CCCC2 ZINC000186020739 822844343 /nfs/dbraw/zinc/84/43/43/822844343.db2.gz CPMHBGDWGJBHFS-QGZVFWFLSA-N 1 0 378.516 4.244 20 10 GICDRO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc2ccccc2c1O ZINC000186078747 822849690 /nfs/dbraw/zinc/84/96/90/822849690.db2.gz AKXSNAUAVAHRIV-INIZCTEOSA-N 1 0 376.456 4.012 20 10 GICDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000186101354 822851874 /nfs/dbraw/zinc/85/18/74/822851874.db2.gz AWOLYWLBGUESHY-ZWKOTPCHSA-N 1 0 384.520 4.408 20 10 GICDRO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000054175826 822866140 /nfs/dbraw/zinc/86/61/40/822866140.db2.gz GWDMPLWEQAVPQO-UHFFFAOYSA-N 1 0 376.456 4.497 20 10 GICDRO C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186323172 822876170 /nfs/dbraw/zinc/87/61/70/822876170.db2.gz YYDBOWCOPNUVQQ-BSRJHKFKSA-N 1 0 385.527 4.004 20 10 GICDRO COc1cccc([C@@H]2[C@@H]([NH2+][C@H](C)c3cc(OC)ccc3O)CCN2C2CC2)c1 ZINC000186503844 822905849 /nfs/dbraw/zinc/90/58/49/822905849.db2.gz DRRFCZLJXKCZQH-LDLFBNOTSA-N 1 0 382.504 4.038 20 10 GICDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c1O ZINC000187294034 823038192 /nfs/dbraw/zinc/03/81/92/823038192.db2.gz LILDYBWMJZAWDR-SWLSCSKDSA-N 1 0 393.329 4.364 20 10 GICDRO COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)ccc21 ZINC000412555324 823661769 /nfs/dbraw/zinc/66/17/69/823661769.db2.gz BQYNMGDGDRUBBY-UHFFFAOYSA-N 1 0 397.494 4.358 20 10 GICDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163400132 823706533 /nfs/dbraw/zinc/70/65/33/823706533.db2.gz JVGCTHXZJLSQEH-OAHLLOKOSA-N 1 0 394.437 4.401 20 10 GICDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000191633563 823720054 /nfs/dbraw/zinc/72/00/54/823720054.db2.gz ILTCWYJJSXYBKJ-UHFFFAOYSA-N 1 0 392.503 4.191 20 10 GICDRO CC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000163600879 823727240 /nfs/dbraw/zinc/72/72/40/823727240.db2.gz NSHYMHOSBBVYHO-FQEVSTJZSA-N 1 0 386.561 4.498 20 10 GICDRO COCc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)ccc1OC ZINC000163616790 823728121 /nfs/dbraw/zinc/72/81/21/823728121.db2.gz LHWOFLGDBOQWPI-QGZVFWFLSA-N 1 0 386.561 4.246 20 10 GICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CCSC)c2nnc3ccccn32)cc1 ZINC000164216148 823786445 /nfs/dbraw/zinc/78/64/45/823786445.db2.gz CAJBJFLLERRUHN-LPHOPBHVSA-N 1 0 383.565 4.330 20 10 GICDRO COc1cc(C)cc(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1O ZINC000164335710 823796542 /nfs/dbraw/zinc/79/65/42/823796542.db2.gz MIXVVHHYQROWJF-UHFFFAOYSA-N 1 0 393.405 4.221 20 10 GICDRO CC(=O)N1CCN(c2ccc(CNc3c(C)c[nH+]c4c(C)cccc34)cc2)CC1 ZINC000191859333 823797877 /nfs/dbraw/zinc/79/78/77/823797877.db2.gz YMQVEGCNKJMGNH-UHFFFAOYSA-N 1 0 388.515 4.132 20 10 GICDRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CCCO2 ZINC000165186022 823838635 /nfs/dbraw/zinc/83/86/35/823838635.db2.gz KXAAKUBUUMNYIS-OAQYLSRUSA-N 1 0 384.495 4.283 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1OC(F)F ZINC000165196855 823839457 /nfs/dbraw/zinc/83/94/57/823839457.db2.gz MOLWKFKMOAGCLI-CYBMUJFWSA-N 1 0 398.400 4.254 20 10 GICDRO CN(Cc1ccccc1O)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000126366707 823849902 /nfs/dbraw/zinc/84/99/02/823849902.db2.gz IEFNNCQFDFYUDX-LJQANCHMSA-N 1 0 387.911 4.024 20 10 GICDRO CSc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cc1 ZINC000170738344 823957913 /nfs/dbraw/zinc/95/79/13/823957913.db2.gz APHNOXNWGXOBGH-XNTDXEJSSA-N 1 0 380.604 4.198 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCc3ccccc3F)nc2)c1 ZINC000187426845 823061514 /nfs/dbraw/zinc/06/15/14/823061514.db2.gz BPMYBMXVJHLIJG-OAHLLOKOSA-N 1 0 382.435 4.365 20 10 GICDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000121631436 823219395 /nfs/dbraw/zinc/21/93/95/823219395.db2.gz FEFRCMOGGSCADH-CVEARBPZSA-N 1 0 385.483 4.033 20 10 GICDRO Fc1cc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)ccc1N1CCOCC1 ZINC000176636344 823254348 /nfs/dbraw/zinc/25/43/48/823254348.db2.gz MDEBFHFMAGOVPO-HXUWFJFHSA-N 1 0 382.479 4.198 20 10 GICDRO CN(Cc1ccccc1O)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000057286106 823275796 /nfs/dbraw/zinc/27/57/96/823275796.db2.gz OBQYVZUORYAHPA-UHFFFAOYSA-N 1 0 395.547 4.498 20 10 GICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCc2nnc3ccccn32)cc1 ZINC000017318941 818509390 /nfs/dbraw/zinc/50/93/90/818509390.db2.gz FYIOXINVLBNMBX-UHFFFAOYSA-N 1 0 385.515 4.088 20 10 GICDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1Cn1cccn1 ZINC000122779150 823410757 /nfs/dbraw/zinc/41/07/57/823410757.db2.gz DBVZCVJOTJXJLP-GOSISDBHSA-N 1 0 378.520 4.165 20 10 GICDRO CCN(C[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1)CC(F)(F)F ZINC000177636699 823505549 /nfs/dbraw/zinc/50/55/49/823505549.db2.gz YXEHRXQCMJMXHR-OAHLLOKOSA-N 1 0 396.453 4.260 20 10 GICDRO CCOCc1cc(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)ccc1OC ZINC000190003120 823524394 /nfs/dbraw/zinc/52/43/94/823524394.db2.gz OMNZBQXSWWHMPX-UHFFFAOYSA-N 1 0 392.540 4.111 20 10 GICDRO Cc1ccc([C@H]([NH2+]Cc2cc(F)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180925375 821541717 /nfs/dbraw/zinc/54/17/17/821541717.db2.gz QGIPIMFKGOWAOA-QFIPXVFZSA-N 1 0 399.487 4.122 20 10 GICDRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)oc21 ZINC000181563232 821882758 /nfs/dbraw/zinc/88/27/58/821882758.db2.gz TZYZVFQFLLTGEM-HNNXBMFYSA-N 1 0 398.478 4.392 20 10 GICDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N2CCCCC2)cc1 ZINC000181811920 822002640 /nfs/dbraw/zinc/00/26/40/822002640.db2.gz MIZNPNYSUOKWQI-RBBKRZOGSA-N 1 0 391.559 4.376 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000182381621 822222618 /nfs/dbraw/zinc/22/26/18/822222618.db2.gz CSUQBOXSWKHFRV-CVEARBPZSA-N 1 0 378.472 4.082 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2Br)c1 ZINC000182409113 822232913 /nfs/dbraw/zinc/23/29/13/822232913.db2.gz VQATYHXJKZQAAT-LLVKDONJSA-N 1 0 396.281 4.031 20 10 GICDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)cc1 ZINC000178523965 822387946 /nfs/dbraw/zinc/38/79/46/822387946.db2.gz QXGLVNMXRMCZCH-IBGZPJMESA-N 1 0 381.568 4.278 20 10 GICDRO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000178666042 822401159 /nfs/dbraw/zinc/40/11/59/822401159.db2.gz WPHFWBVEDDIYHF-HZPDHXFCSA-N 1 0 388.483 4.091 20 10 GICDRO Cc1noc(C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3O)CC2)n1 ZINC000183002990 822409432 /nfs/dbraw/zinc/40/94/32/822409432.db2.gz KFXYFVLAXDIMGF-UHFFFAOYSA-N 1 0 379.460 4.042 20 10 GICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2cccc(C(=O)NC)c2)cc1 ZINC000045822357 822416863 /nfs/dbraw/zinc/41/68/63/822416863.db2.gz DBEXHTWEJUBFKL-UHFFFAOYSA-N 1 0 387.527 4.363 20 10 GICDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(C)ccc1OC ZINC000179405544 822478235 /nfs/dbraw/zinc/47/82/35/822478235.db2.gz CKVFQLZFWLTHLX-NRFANRHFSA-N 1 0 386.511 4.345 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(N2CCCCC2)cc1 ZINC000179515937 822494842 /nfs/dbraw/zinc/49/48/42/822494842.db2.gz QZVSVEJDIVWEGD-RBUKOAKNSA-N 1 0 390.531 4.126 20 10 GICDRO COc1ccc(O)c(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000180095177 822614230 /nfs/dbraw/zinc/61/42/30/822614230.db2.gz PTWNDNLMFBMXBE-UHFFFAOYSA-N 1 0 380.419 4.082 20 10 GICDRO CC1CCN(c2ccc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)cc2)CC1 ZINC000180183508 822634310 /nfs/dbraw/zinc/63/43/10/822634310.db2.gz WLLHGCFCKBZCQJ-UHFFFAOYSA-N 1 0 399.542 4.485 20 10 GICDRO CCN(CC)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000180186204 822635030 /nfs/dbraw/zinc/63/50/30/822635030.db2.gz PTZWEGBHUDEJIZ-UHFFFAOYSA-N 1 0 391.494 4.234 20 10 GICDRO COc1cc(Br)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000180543724 822699482 /nfs/dbraw/zinc/69/94/82/822699482.db2.gz RIZNINCBQXNMSP-ZDUSSCGKSA-N 1 0 393.325 4.383 20 10 GICDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3cc4c(cc3O)CCCC4)cn2)n1 ZINC000185058064 822730541 /nfs/dbraw/zinc/73/05/41/822730541.db2.gz REYXUBFJOMCYPQ-QGZVFWFLSA-N 1 0 376.504 4.319 20 10 GICDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C)cc3O)CC2)cc1 ZINC000185171302 822745082 /nfs/dbraw/zinc/74/50/82/822745082.db2.gz TZBPLHKGWKJMMZ-QGZVFWFLSA-N 1 0 382.504 4.055 20 10 GICDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cc(C)ccc3O)CC2)cc1 ZINC000185171159 822745122 /nfs/dbraw/zinc/74/51/22/822745122.db2.gz JLFHDYLAEXQJIL-KRWDZBQOSA-N 1 0 382.504 4.055 20 10 GICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000185306309 822762826 /nfs/dbraw/zinc/76/28/26/822762826.db2.gz ZPBUDWMGDUXHJP-ZWKOTPCHSA-N 1 0 381.520 4.369 20 10 GICDRO Cc1cc(O)c(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1C ZINC000174335023 822773286 /nfs/dbraw/zinc/77/32/86/822773286.db2.gz QQUMIPBUWGWKBF-SFHVURJKSA-N 1 0 381.520 4.116 20 10 GICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1Br ZINC000174372465 822779824 /nfs/dbraw/zinc/77/98/24/822779824.db2.gz KOVSUMHTIHYQOQ-CQSZACIVSA-N 1 0 391.309 4.394 20 10 GICDRO Cc1cc(O)c(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cc1C ZINC000174388954 822782189 /nfs/dbraw/zinc/78/21/89/822782189.db2.gz OXANNQPSKZYWRM-UHFFFAOYSA-N 1 0 390.487 4.016 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000185570658 822797633 /nfs/dbraw/zinc/79/76/33/822797633.db2.gz OGJCFASUKOLQLQ-HNAYVOBHSA-N 1 0 386.492 4.317 20 10 GICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1 ZINC000174636844 822815786 /nfs/dbraw/zinc/81/57/86/822815786.db2.gz GZJYUHHFEKVENZ-UHFFFAOYSA-N 1 0 388.577 4.016 20 10 GICDRO COc1cccc(C([NH2+]Cc2cccc(OC)c2O)c2cccc(OC)c2)c1 ZINC000174928256 822857187 /nfs/dbraw/zinc/85/71/87/822857187.db2.gz PQDKXMAJPUBEHI-UHFFFAOYSA-N 1 0 379.456 4.297 20 10 GICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2c(O)cccc2Cl)C1 ZINC000569940929 822988127 /nfs/dbraw/zinc/98/81/27/822988127.db2.gz OHEJOEPZJCAYSP-UHFFFAOYSA-N 1 0 397.906 4.406 20 10 GICDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)CCC(=O)N4C)cc2)CC1 ZINC000187226194 823027515 /nfs/dbraw/zinc/02/75/15/823027515.db2.gz AEZFFYIEYIKNFI-UHFFFAOYSA-N 1 0 377.532 4.122 20 10 GICDRO COc1ccc(N2CCC[N@H+](CCCC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000177908461 823544965 /nfs/dbraw/zinc/54/49/65/823544965.db2.gz AUORHMZEDCYMIE-UHFFFAOYSA-N 1 0 395.547 4.243 20 10 GICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124200639 823576878 /nfs/dbraw/zinc/57/68/78/823576878.db2.gz ABRJKQKIUROERI-HXUWFJFHSA-N 1 0 381.568 4.230 20 10 GICDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cccc(C(F)(F)F)c3)SC2=S)CC1 ZINC000063824449 823699732 /nfs/dbraw/zinc/69/97/32/823699732.db2.gz HBLUNWYDJHHEDS-UVTDQMKNSA-N 1 0 386.464 4.001 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000163586389 823725693 /nfs/dbraw/zinc/72/56/93/823725693.db2.gz HYHVITMEQKQUGT-QGZVFWFLSA-N 1 0 397.544 4.047 20 10 GICDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1NC(C)=O ZINC000163619612 823728883 /nfs/dbraw/zinc/72/88/83/823728883.db2.gz VQFNWJLVCUZSEL-MRXNPFEDSA-N 1 0 399.560 4.058 20 10 GICDRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(N2CCCCC2)cc1 ZINC000163747139 823745074 /nfs/dbraw/zinc/74/50/74/823745074.db2.gz PVXRMXKARIFBRS-OAQYLSRUSA-N 1 0 393.575 4.360 20 10 GICDRO OC1CCN(c2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cc2F)CC1 ZINC000166284564 823874393 /nfs/dbraw/zinc/87/43/93/823874393.db2.gz RZMMUGPAKJOMAA-XXBNENTESA-N 1 0 398.522 4.044 20 10 GICDRO CCC[N@H+](Cc1cc2c(cc1O)CCC2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000170639092 823923727 /nfs/dbraw/zinc/92/37/27/823923727.db2.gz FQUWXGINFIGWIF-UHFFFAOYSA-N 1 0 392.543 4.398 20 10 GICDRO COc1ccc([C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C2CCOCC2)cc1 ZINC000359955905 212127045 /nfs/dbraw/zinc/12/70/45/212127045.db2.gz JMRKRMWRRVBROP-FQEVSTJZSA-N 1 0 391.895 4.320 20 10 GICDRO CC[C@@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)c1ccccc1O ZINC000121097311 823117842 /nfs/dbraw/zinc/11/78/42/823117842.db2.gz BWORTGZSERGYSE-OAHLLOKOSA-N 1 0 380.282 4.413 20 10 GICDRO COc1ccc2ccc(O)c(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)c2c1 ZINC000176210796 823153484 /nfs/dbraw/zinc/15/34/84/823153484.db2.gz JXZKBKLCYBZRLR-FQEVSTJZSA-N 1 0 385.504 4.104 20 10 GICDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000121631283 823219345 /nfs/dbraw/zinc/21/93/45/823219345.db2.gz FEFRCMOGGSCADH-HOTGVXAUSA-N 1 0 385.483 4.033 20 10 GICDRO C[C@@H](c1ccccc1)[N@H+](Cc1cc(=O)n2ccsc2n1)Cc1ccccc1O ZINC000176679276 823265716 /nfs/dbraw/zinc/26/57/16/823265716.db2.gz NOPHOWYXGOUCEB-INIZCTEOSA-N 1 0 391.496 4.225 20 10 GICDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122013102 823293315 /nfs/dbraw/zinc/29/33/15/823293315.db2.gz WANKCLBLYIDLHY-HSZRJFAPSA-N 1 0 378.516 4.015 20 10 GICDRO COc1cccc(OC)c1OC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000122094756 823305523 /nfs/dbraw/zinc/30/55/23/823305523.db2.gz KGJZGUQUKJFDBM-UHFFFAOYSA-N 1 0 377.868 4.106 20 10 GICDRO COc1ccc(N2CCC[N@H+](Cc3cccc(SC(=O)N(C)C)c3)CC2)cc1 ZINC000176883079 823316759 /nfs/dbraw/zinc/31/67/59/823316759.db2.gz OQPWKKXQPKQGAS-UHFFFAOYSA-N 1 0 399.560 4.181 20 10 GICDRO CCOc1cccc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1O ZINC000122647728 823387471 /nfs/dbraw/zinc/38/74/71/823387471.db2.gz PZDQZETXDFDOBC-SBUREZEXSA-N 1 0 385.504 4.206 20 10 GICDRO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1O ZINC000122648243 823387512 /nfs/dbraw/zinc/38/75/12/823387512.db2.gz PZDQZETXDFDOBC-GAJHUEQPSA-N 1 0 385.504 4.206 20 10 GICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000122694002 823395724 /nfs/dbraw/zinc/39/57/24/823395724.db2.gz CJKKJMNBQODIAY-GOSISDBHSA-N 1 0 378.520 4.224 20 10 GICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-n2cncn2)cc1Cl ZINC000122941379 823436978 /nfs/dbraw/zinc/43/69/78/823436978.db2.gz VIRHSJFKAOCTHN-HNNXBMFYSA-N 1 0 381.911 4.154 20 10 GICDRO COc1ccc(O)c(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1 ZINC000123152576 823470784 /nfs/dbraw/zinc/47/07/84/823470784.db2.gz SCOJNWFNZDUMPK-UHFFFAOYSA-N 1 0 385.895 4.206 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000177776809 823524495 /nfs/dbraw/zinc/52/44/95/823524495.db2.gz VPNQRXIVHYRHAY-LJQANCHMSA-N 1 0 375.520 4.168 20 10 GICDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)cc1OC ZINC000180696559 821400135 /nfs/dbraw/zinc/40/01/35/821400135.db2.gz JLRCKHFFCABUOQ-AEFFLSMTSA-N 1 0 391.533 4.339 20 10 GICDRO COc1cc(O)c(C[NH2+]CCOc2ccccc2-c2ccccc2)cc1OC ZINC000181255786 821721027 /nfs/dbraw/zinc/72/10/27/821721027.db2.gz TXDKCPAFERWCGG-UHFFFAOYSA-N 1 0 379.456 4.245 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181350897 821779533 /nfs/dbraw/zinc/77/95/33/821779533.db2.gz ZGQCXEIQIXBEMW-INIZCTEOSA-N 1 0 387.499 4.085 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000181527760 821867480 /nfs/dbraw/zinc/86/74/80/821867480.db2.gz UZRMFBKONZTDGG-OAHLLOKOSA-N 1 0 389.421 4.264 20 10 GICDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C12CCCCC2 ZINC000181563101 821881819 /nfs/dbraw/zinc/88/18/19/821881819.db2.gz DPTWIGVQWBIMEK-VXKWHMMOSA-N 1 0 390.543 4.004 20 10 GICDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)no1 ZINC000181845971 822015394 /nfs/dbraw/zinc/01/53/94/822015394.db2.gz JIGOUQCBGWPVCD-MSOLQXFVSA-N 1 0 392.503 4.028 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2Br)c1 ZINC000182409096 822233034 /nfs/dbraw/zinc/23/30/34/822233034.db2.gz VQATYHXJKZQAAT-NSHDSACASA-N 1 0 396.281 4.031 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000182439893 822243449 /nfs/dbraw/zinc/24/34/49/822243449.db2.gz FBWXSEIYNQBLRN-GJZGRUSLSA-N 1 0 382.460 4.017 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)nc1 ZINC000179107777 822438925 /nfs/dbraw/zinc/43/89/25/822438925.db2.gz PIGIJVQJVWLBBH-ZDUSSCGKSA-N 1 0 399.844 4.441 20 10 GICDRO Cc1nc(C(F)(F)F)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000183611607 822501260 /nfs/dbraw/zinc/50/12/60/822501260.db2.gz BISNNMQDNZNDQA-AWEZNQCLSA-N 1 0 386.439 4.357 20 10 GICDRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000179555351 822502843 /nfs/dbraw/zinc/50/28/43/822502843.db2.gz QLUREMDRUQIIPD-WQTXXOFMSA-N 1 0 387.955 4.129 20 10 GICDRO CCC[N@H+](Cc1cc(OC)ccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179789488 822553512 /nfs/dbraw/zinc/55/35/12/822553512.db2.gz VOPXYTDXXQKUSZ-UHFFFAOYSA-N 1 0 378.513 4.012 20 10 GICDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000179946571 822583068 /nfs/dbraw/zinc/58/30/68/822583068.db2.gz QZYAHFYNPNGDCI-GOSISDBHSA-N 1 0 381.476 4.116 20 10 GICDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000179948092 822583557 /nfs/dbraw/zinc/58/35/57/822583557.db2.gz HGRYIMMYXQRHOW-SFHVURJKSA-N 1 0 386.561 4.321 20 10 GICDRO OCC1CCN(c2ccc(CN[C@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC000180214969 822640838 /nfs/dbraw/zinc/64/08/38/822640838.db2.gz KHIUBRQRDKOJHM-RUZDIDTESA-N 1 0 387.527 4.170 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1O ZINC000184984397 822721788 /nfs/dbraw/zinc/72/17/88/822721788.db2.gz AWXBMZDNUYPMBK-CYBMUJFWSA-N 1 0 376.298 4.001 20 10 GICDRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc2ccccc2c1O ZINC000185063306 822731355 /nfs/dbraw/zinc/73/13/55/822731355.db2.gz GGITUZVGFJGENB-SFHVURJKSA-N 1 0 376.500 4.228 20 10 GICDRO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109396 822738203 /nfs/dbraw/zinc/73/82/03/822738203.db2.gz QBOGNLTVLYPEQD-HOTGVXAUSA-N 1 0 398.528 4.208 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000185306525 822762860 /nfs/dbraw/zinc/76/28/60/822762860.db2.gz JXSGOKUJGGQJHX-DLBZAZTESA-N 1 0 397.519 4.069 20 10 GICDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000174744262 822831501 /nfs/dbraw/zinc/83/15/01/822831501.db2.gz OWKQVYXNAZCXDJ-IBGZPJMESA-N 1 0 387.568 4.357 20 10 GICDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000174744248 822831509 /nfs/dbraw/zinc/83/15/09/822831509.db2.gz OWKQVYXNAZCXDJ-LJQANCHMSA-N 1 0 387.568 4.357 20 10 GICDRO COc1ccc(O)c([C@@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000186289013 822871448 /nfs/dbraw/zinc/87/14/48/822871448.db2.gz QYCNVWWRXKHNBI-QGZVFWFLSA-N 1 0 381.520 4.106 20 10 GICDRO COc1ccc(N2CCC[N@H+](Cc3ncc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000175113177 822884587 /nfs/dbraw/zinc/88/45/87/822884587.db2.gz GJPYCLUAWYOPTI-UHFFFAOYSA-N 1 0 381.451 4.202 20 10 GICDRO CCCCN(C)C(=O)C1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000054551565 822895110 /nfs/dbraw/zinc/89/51/10/822895110.db2.gz YTTODNDGIYJYSX-UHFFFAOYSA-N 1 0 384.520 4.025 20 10 GICDRO CO[C@](C)(c1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1)C1CC1 ZINC000570251289 823019433 /nfs/dbraw/zinc/01/94/33/823019433.db2.gz NFKNBFLRSGRTBR-QHCPKHFHSA-N 1 0 394.519 4.111 20 10 GICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@H]2C2CC2)C1 ZINC000460973538 823553693 /nfs/dbraw/zinc/55/36/93/823553693.db2.gz MXUVHFSJBCNNCF-HSZRJFAPSA-N 1 0 379.548 4.055 20 10 GICDRO CC(C)c1ncc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)s1 ZINC000123943610 823553862 /nfs/dbraw/zinc/55/38/62/823553862.db2.gz HJUAYCREERXQNF-NTUHNPAUSA-N 1 0 383.608 4.056 20 10 GICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(CCC3)[C@H]2C2CC2)C1 ZINC000460980310 823555183 /nfs/dbraw/zinc/55/51/83/823555183.db2.gz OAUSBKARZKVKGL-XMMPIXPASA-N 1 0 391.559 4.199 20 10 GICDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)no1 ZINC000191632501 823719308 /nfs/dbraw/zinc/71/93/08/823719308.db2.gz APXXGIAZLNKZDJ-UHFFFAOYSA-N 1 0 379.460 4.139 20 10 GICDRO Fc1cc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)ccc1N1CCOCC1 ZINC000165175046 823837984 /nfs/dbraw/zinc/83/79/84/823837984.db2.gz BMZMUUYTAZNNKV-LJQANCHMSA-N 1 0 390.886 4.319 20 10 GICDRO c1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000166213655 823872763 /nfs/dbraw/zinc/87/27/63/823872763.db2.gz HKIBXAINBYXCFQ-OFNKIYASSA-N 1 0 382.573 4.497 20 10 GICDRO OCC1CCN(c2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000166285353 823874403 /nfs/dbraw/zinc/87/44/03/823874403.db2.gz KNKMOTQEJQUNPZ-RDGATRHJSA-N 1 0 394.559 4.153 20 10 GICDRO OCC1CCN(c2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000166285099 823874714 /nfs/dbraw/zinc/87/47/14/823874714.db2.gz KNKMOTQEJQUNPZ-DHLKQENFSA-N 1 0 394.559 4.153 20 10 GICDRO C[C@H]([NH2+]Cc1ccccc1Br)c1ccc(N2CCOCC2)c(F)c1 ZINC000120955029 823092191 /nfs/dbraw/zinc/09/21/91/823092191.db2.gz GRRYNFOILHHDMJ-AWEZNQCLSA-N 1 0 393.300 4.276 20 10 GICDRO COc1cc(Br)cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000175985160 823088708 /nfs/dbraw/zinc/08/87/08/823088708.db2.gz XLGGKUKGZKOZHE-UHFFFAOYSA-N 1 0 395.253 4.096 20 10 GICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000176496773 823221421 /nfs/dbraw/zinc/22/14/21/823221421.db2.gz ZEGUQIULSVFHCJ-KRWDZBQOSA-N 1 0 396.531 4.037 20 10 GICDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(OCC(F)(F)F)c1 ZINC000122308916 823335731 /nfs/dbraw/zinc/33/57/31/823335731.db2.gz VYJDVKYLKMJTBS-UHFFFAOYSA-N 1 0 394.437 4.096 20 10 GICDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccsc1 ZINC000031986544 820885081 /nfs/dbraw/zinc/88/50/81/820885081.db2.gz PFTZSWFRTNEHRK-SFHVURJKSA-N 1 0 396.516 4.125 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177771702 823523852 /nfs/dbraw/zinc/52/38/52/823523852.db2.gz OQVFTEBDCYCNFU-SFHVURJKSA-N 1 0 393.510 4.307 20 10 GICDRO C[C@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000181319012 821756786 /nfs/dbraw/zinc/75/67/86/821756786.db2.gz DLOFPMGRQRORQI-KSFYIVLOSA-N 1 0 384.495 4.351 20 10 GICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000181399693 821806916 /nfs/dbraw/zinc/80/69/16/821806916.db2.gz UEKUXYDSCPFYFK-LIRRHRJNSA-N 1 0 377.326 4.289 20 10 GICDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N2CCCCC2)cc1 ZINC000181811900 822002818 /nfs/dbraw/zinc/00/28/18/822002818.db2.gz MIZNPNYSUOKWQI-IRLDBZIGSA-N 1 0 391.559 4.376 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC(F)F)c1 ZINC000182337360 822207134 /nfs/dbraw/zinc/20/71/34/822207134.db2.gz IROACLLDAQETBM-LLVKDONJSA-N 1 0 382.432 4.005 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000182368603 822217646 /nfs/dbraw/zinc/21/76/46/822217646.db2.gz QKXNYYKSYRETMA-LBPRGKRZSA-N 1 0 384.457 4.104 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000182439914 822243316 /nfs/dbraw/zinc/24/33/16/822243316.db2.gz FBWXSEIYNQBLRN-CABCVRRESA-N 1 0 382.460 4.017 20 10 GICDRO C[C@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000177951275 822254757 /nfs/dbraw/zinc/25/47/57/822254757.db2.gz CEHZRVNMKJKTBV-IFXJQAMLSA-N 1 0 390.886 4.490 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178281590 822362881 /nfs/dbraw/zinc/36/28/81/822362881.db2.gz SFUPIZGJOBIIKK-CQSZACIVSA-N 1 0 380.410 4.115 20 10 GICDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)cc1 ZINC000178523979 822387972 /nfs/dbraw/zinc/38/79/72/822387972.db2.gz QXGLVNMXRMCZCH-LJQANCHMSA-N 1 0 381.568 4.278 20 10 GICDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(C(C)(C)C)s3)SC2=S)CC1 ZINC000178995235 822427488 /nfs/dbraw/zinc/42/74/88/822427488.db2.gz QRGMEHCQFNAMJN-SDNWHVSQSA-N 1 0 380.604 4.341 20 10 GICDRO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cccc(OCC)c1O ZINC000179610597 822512397 /nfs/dbraw/zinc/51/23/97/822512397.db2.gz WIVMCVKHMCVICI-UHFFFAOYSA-N 1 0 396.409 4.059 20 10 GICDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000184285223 822608719 /nfs/dbraw/zinc/60/87/19/822608719.db2.gz ICPFAJAXPNHXDR-HNNXBMFYSA-N 1 0 379.426 4.096 20 10 GICDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000184887595 822707586 /nfs/dbraw/zinc/70/75/86/822707586.db2.gz PSMZVWIZSMDEQI-IAGOWNOFSA-N 1 0 390.549 4.143 20 10 GICDRO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185049194 822729265 /nfs/dbraw/zinc/72/92/65/822729265.db2.gz MAPWFGBWFLKDMF-VGSWGCGISA-N 1 0 378.516 4.285 20 10 GICDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000185058255 822730572 /nfs/dbraw/zinc/73/05/72/822730572.db2.gz OPMBDDRGOJSKIJ-KBPBESRZSA-N 1 0 388.895 4.115 20 10 GICDRO COc1ccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2O)c(OC)c1OC ZINC000185327277 822766531 /nfs/dbraw/zinc/76/65/31/822766531.db2.gz MDXWNKAZOUWCPS-OAHLLOKOSA-N 1 0 381.472 4.465 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000185570679 822797638 /nfs/dbraw/zinc/79/76/38/822797638.db2.gz OGJCFASUKOLQLQ-DNVCBOLYSA-N 1 0 386.492 4.317 20 10 GICDRO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000185593799 822800201 /nfs/dbraw/zinc/80/02/01/822800201.db2.gz IJFBJRCSDGHFPI-NYHFZMIOSA-N 1 0 399.487 4.375 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2cc3c(cc(OC)cc3OC)[nH]2)c1 ZINC000185672848 822808830 /nfs/dbraw/zinc/80/88/30/822808830.db2.gz DPQHNYDWMCWVPN-CQSZACIVSA-N 1 0 384.476 4.183 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)c1 ZINC000185758888 822818477 /nfs/dbraw/zinc/81/84/77/822818477.db2.gz MTYOKEBCRMKJRC-MZNJEOGPSA-N 1 0 393.483 4.364 20 10 GICDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000186101341 822851921 /nfs/dbraw/zinc/85/19/21/822851921.db2.gz AWOLYWLBGUESHY-QZTJIDSGSA-N 1 0 384.520 4.408 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 ZINC000186145184 822855421 /nfs/dbraw/zinc/85/54/21/822855421.db2.gz HXUJHXQCIHALPG-DGGJZMOXSA-N 1 0 385.504 4.377 20 10 GICDRO COc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)COC(C)(C)O4)CC2)cc1 ZINC000186374322 822883933 /nfs/dbraw/zinc/88/39/33/822883933.db2.gz OLJVEOPATRZCJY-UHFFFAOYSA-N 1 0 382.504 4.099 20 10 GICDRO Cc1nccn1CCCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000175462565 822975034 /nfs/dbraw/zinc/97/50/34/822975034.db2.gz LSCQIHMHPURLFH-UHFFFAOYSA-N 1 0 384.524 4.222 20 10 GICDRO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N2CCCCC2)cc1 ZINC000123936404 823553323 /nfs/dbraw/zinc/55/33/23/823553323.db2.gz JOQROLXDNNMAGE-NQIIRXRSSA-N 1 0 377.532 4.412 20 10 GICDRO O=C(NCCc1cccs1)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000063281370 823659506 /nfs/dbraw/zinc/65/95/06/823659506.db2.gz NLDUXIVRJNGIOD-UHFFFAOYSA-N 1 0 394.540 4.178 20 10 GICDRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000191560758 823699749 /nfs/dbraw/zinc/69/97/49/823699749.db2.gz TVVSGECVJOCVOP-INIZCTEOSA-N 1 0 387.549 4.203 20 10 GICDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)CC1 ZINC000063824420 823699765 /nfs/dbraw/zinc/69/97/65/823699765.db2.gz AUOFJILEXFKONY-UVTDQMKNSA-N 1 0 386.464 4.001 20 10 GICDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163339800 823702575 /nfs/dbraw/zinc/70/25/75/823702575.db2.gz UQUJPQYZOYBHIQ-GJZGRUSLSA-N 1 0 376.447 4.222 20 10 GICDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000163396648 823706149 /nfs/dbraw/zinc/70/61/49/823706149.db2.gz BYJJFIOKJCNWNW-FQEVSTJZSA-N 1 0 376.422 4.319 20 10 GICDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1O ZINC000164204486 823786058 /nfs/dbraw/zinc/78/60/58/823786058.db2.gz TYTLROMMHYRVHZ-GOSISDBHSA-N 1 0 392.293 4.045 20 10 GICDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1O ZINC000164258328 823790336 /nfs/dbraw/zinc/79/03/36/823790336.db2.gz MRSNOLUQFGNSTC-MRXNPFEDSA-N 1 0 397.450 4.278 20 10 GICDRO COc1cc(C)cc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)c1O ZINC000164296114 823793697 /nfs/dbraw/zinc/79/36/97/823793697.db2.gz BAMADDRFEAEFAW-UHFFFAOYSA-N 1 0 379.460 4.139 20 10 GICDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000126180565 823806399 /nfs/dbraw/zinc/80/63/99/823806399.db2.gz DMGGVVYBMGXCCA-UHFFFAOYSA-N 1 0 387.911 4.472 20 10 GICDRO CN(Cc1ccccc1O)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000126366467 823849546 /nfs/dbraw/zinc/84/95/46/823849546.db2.gz IEFNNCQFDFYUDX-IBGZPJMESA-N 1 0 387.911 4.024 20 10 GICDRO CCOCCOc1cc(C)ccc1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000167147604 823887208 /nfs/dbraw/zinc/88/72/08/823887208.db2.gz CZBAXWJGOOZCTB-UHFFFAOYSA-N 1 0 398.547 4.178 20 10 GICDRO CCC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccccc1O ZINC000170779303 823969601 /nfs/dbraw/zinc/96/96/01/823969601.db2.gz YQMFLBNMRVVEHF-UHFFFAOYSA-N 1 0 392.253 4.210 20 10 GICDRO COc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C2CCOCC2)cc1 ZINC000359955913 212128052 /nfs/dbraw/zinc/12/80/52/212128052.db2.gz JMRKRMWRRVBROP-HXUWFJFHSA-N 1 0 391.895 4.320 20 10 GICDRO COc1ccc2ccc(O)c(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)c2c1 ZINC000176210815 823153466 /nfs/dbraw/zinc/15/34/66/823153466.db2.gz JXZKBKLCYBZRLR-HXUWFJFHSA-N 1 0 385.504 4.104 20 10 GICDRO C[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccc(N2CCCCC2)cc1 ZINC000056491472 823159239 /nfs/dbraw/zinc/15/92/39/823159239.db2.gz VMVNXRONHWCAQN-UHFFFAOYSA-N 1 0 397.588 4.145 20 10 GICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000121877568 823268748 /nfs/dbraw/zinc/26/87/48/823268748.db2.gz GGFRWCVTPYEZPN-QZTJIDSGSA-N 1 0 394.494 4.260 20 10 GICDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(CO)c1 ZINC000122019925 823294095 /nfs/dbraw/zinc/29/40/95/823294095.db2.gz WVGQNTITDIZWAW-QAPCUYQASA-N 1 0 376.447 4.100 20 10 GICDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(F)cc3Cl)c2)CC1 ZINC000122330834 823339020 /nfs/dbraw/zinc/33/90/20/823339020.db2.gz BELANLYRBVLTFQ-UHFFFAOYSA-N 1 0 375.875 4.262 20 10 GICDRO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1O ZINC000177156284 823385699 /nfs/dbraw/zinc/38/56/99/823385699.db2.gz JZBBHBUZUFCXLE-HXUWFJFHSA-N 1 0 383.419 4.063 20 10 GICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000177227689 823404579 /nfs/dbraw/zinc/40/45/79/823404579.db2.gz PGHFTRYTYVSSRW-OAHLLOKOSA-N 1 0 394.437 4.401 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122796878 823414084 /nfs/dbraw/zinc/41/40/84/823414084.db2.gz OYPKQDOWQTZUFU-UZUQRXQVSA-N 1 0 386.511 4.307 20 10 GICDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000189578254 823449706 /nfs/dbraw/zinc/44/97/06/823449706.db2.gz WEYTWZSHCJLMMA-UHFFFAOYSA-N 1 0 381.520 4.293 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000123212503 823479675 /nfs/dbraw/zinc/47/96/75/823479675.db2.gz FJWKSBRZQNIHMZ-NRFANRHFSA-N 1 0 379.529 4.500 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000182381638 822222799 /nfs/dbraw/zinc/22/27/99/822222799.db2.gz CSUQBOXSWKHFRV-JKSUJKDBSA-N 1 0 378.472 4.082 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(-c3ccc(O)c(OC)c3)n2)c1 ZINC000182440797 822244137 /nfs/dbraw/zinc/24/41/37/822244137.db2.gz FFDIYUOLKCDREE-LBPRGKRZSA-N 1 0 386.473 4.089 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178102002 822320183 /nfs/dbraw/zinc/32/01/83/822320183.db2.gz ZJCOKJYJDJMHDI-SFHVURJKSA-N 1 0 396.531 4.329 20 10 GICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000182618582 822324803 /nfs/dbraw/zinc/32/48/03/822324803.db2.gz PJWFWMBRBBRFLI-UHFFFAOYSA-N 1 0 380.419 4.082 20 10 GICDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178125387 822326941 /nfs/dbraw/zinc/32/69/41/822326941.db2.gz UHYWHKKZZYEXOI-RTFZILSDSA-N 1 0 384.495 4.233 20 10 GICDRO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000178194196 822348963 /nfs/dbraw/zinc/34/89/63/822348963.db2.gz JUOXVTCZLKPIQY-PZJWPPBQSA-N 1 0 379.552 4.177 20 10 GICDRO C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178705458 822404502 /nfs/dbraw/zinc/40/45/02/822404502.db2.gz QLKNSUORMGMXGI-KOSHJBKYSA-N 1 0 391.490 4.498 20 10 GICDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000183017072 822411987 /nfs/dbraw/zinc/41/19/87/822411987.db2.gz JUMLGVYQYPNMPP-UHFFFAOYSA-N 1 0 395.528 4.140 20 10 GICDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000183160228 822433264 /nfs/dbraw/zinc/43/32/64/822433264.db2.gz XTPNNNKGJXZLEJ-UGKGYDQZSA-N 1 0 385.529 4.116 20 10 GICDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)c1 ZINC000179912747 822575846 /nfs/dbraw/zinc/57/58/46/822575846.db2.gz ZQBSUHWACOZWMS-MRXNPFEDSA-N 1 0 394.471 4.234 20 10 GICDRO OC1CCN(c2ccc(CN[C@@H](c3ccccc3)c3ccccn3)cc2F)CC1 ZINC000180214556 822640830 /nfs/dbraw/zinc/64/08/30/822640830.db2.gz YQXKIZRLIMULLW-DEOSSOPVSA-N 1 0 391.490 4.061 20 10 GICDRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3cc(F)ccc3O)c2)cc1 ZINC000180477205 822688599 /nfs/dbraw/zinc/68/85/99/822688599.db2.gz UZAIRXOUFFVATR-UHFFFAOYSA-N 1 0 378.447 4.060 20 10 GICDRO CSCC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1nnc2ccccn21 ZINC000184907644 822711243 /nfs/dbraw/zinc/71/12/43/822711243.db2.gz XHBPKFLUTZSJJA-IUODEOHRSA-N 1 0 376.913 4.233 20 10 GICDRO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)c1ccccc1 ZINC000184938509 822715820 /nfs/dbraw/zinc/71/58/20/822715820.db2.gz RBGQAAWHSHHDJX-SKCUWOTOSA-N 1 0 395.524 4.181 20 10 GICDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000185058270 822730522 /nfs/dbraw/zinc/73/05/22/822730522.db2.gz OPMBDDRGOJSKIJ-KGLIPLIRSA-N 1 0 388.895 4.115 20 10 GICDRO COc1ccc(Oc2cc(C[NH2+][C@@H](C)c3cc(OC)ccc3O)ccn2)cc1 ZINC000185061532 822731054 /nfs/dbraw/zinc/73/10/54/822731054.db2.gz CKCSQQBHUVHOFD-HNNXBMFYSA-N 1 0 380.444 4.448 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000185306506 822762842 /nfs/dbraw/zinc/76/28/42/822762842.db2.gz JXSGOKUJGGQJHX-SJORKVTESA-N 1 0 397.519 4.069 20 10 GICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185366025 822772520 /nfs/dbraw/zinc/77/25/20/822772520.db2.gz GBCFXXWNGWPKTQ-HSZRJFAPSA-N 1 0 383.511 4.255 20 10 GICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000185447182 822785236 /nfs/dbraw/zinc/78/52/36/822785236.db2.gz MMDLVTBVEOKFEX-QGZVFWFLSA-N 1 0 390.487 4.268 20 10 GICDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc2ccccc2c1O ZINC000185710278 822812795 /nfs/dbraw/zinc/81/27/95/822812795.db2.gz ABIJFBVBQWEVQX-WIYYLYMNSA-N 1 0 388.511 4.430 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)c1 ZINC000185758869 822818422 /nfs/dbraw/zinc/81/84/22/822818422.db2.gz MTYOKEBCRMKJRC-BXKMTCNYSA-N 1 0 393.483 4.364 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 ZINC000186145169 822855461 /nfs/dbraw/zinc/85/54/61/822855461.db2.gz HXUJHXQCIHALPG-QQMNAOGKSA-N 1 0 385.504 4.377 20 10 GICDRO Oc1ccc2cc(Br)ccc2c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000054495173 822890535 /nfs/dbraw/zinc/89/05/35/822890535.db2.gz IVFKDWDJIJHJFO-CYBMUJFWSA-N 1 0 376.294 4.309 20 10 GICDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)cc1 ZINC000186959063 822987189 /nfs/dbraw/zinc/98/71/89/822987189.db2.gz ZVJGDOAWOMHFBY-GFCCVEGCSA-N 1 0 377.282 4.272 20 10 GICDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175647773 823012578 /nfs/dbraw/zinc/01/25/78/823012578.db2.gz XRBCDRZZHLMHBA-KNQAVFIVSA-N 1 0 395.547 4.367 20 10 GICDRO Cc1ccc(/C=C2\SC(=S)N(C3CC[NH+](Cc4ccccc4)CC3)C2=O)o1 ZINC000063823798 823699672 /nfs/dbraw/zinc/69/96/72/823699672.db2.gz QJDHLAKCCCDEEK-UYRXBGFRSA-N 1 0 398.553 4.454 20 10 GICDRO COc1cc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000164462173 823803910 /nfs/dbraw/zinc/80/39/10/823803910.db2.gz FIZAWTADBSZOEF-SANMLTNESA-N 1 0 375.534 4.068 20 10 GICDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000165171552 823837938 /nfs/dbraw/zinc/83/79/38/823837938.db2.gz YCHUQLJDGZIRRJ-OAHLLOKOSA-N 1 0 394.437 4.423 20 10 GICDRO CSc1nnc(CCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1CC(C)C ZINC000165644818 823856982 /nfs/dbraw/zinc/85/69/82/823856982.db2.gz GUTGBQSYRWOYAE-MRXNPFEDSA-N 1 0 375.586 4.005 20 10 GICDRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000168603117 823904527 /nfs/dbraw/zinc/90/45/27/823904527.db2.gz QOACSCPGROHIAR-INIZCTEOSA-N 1 0 376.447 4.284 20 10 GICDRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000170957321 824017830 /nfs/dbraw/zinc/01/78/30/824017830.db2.gz JQPBJZOQACNEML-UHFFFAOYSA-N 1 0 392.540 4.227 20 10 GICDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056327112 823128783 /nfs/dbraw/zinc/12/87/83/823128783.db2.gz ZXPMRXLCWPTFGK-UHFFFAOYSA-N 1 0 388.471 4.141 20 10 GICDRO C[N@H+](Cc1ccc(CSC(F)F)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000121319464 823162763 /nfs/dbraw/zinc/16/27/63/823162763.db2.gz ITKIPILPLXCOMN-UHFFFAOYSA-N 1 0 382.476 4.204 20 10 GICDRO COc1ccc2ccc(O)c(C[NH+]3CCC(NC(=O)c4ccsc4)CC3)c2c1 ZINC000057106842 823250348 /nfs/dbraw/zinc/25/03/48/823250348.db2.gz XCVNRGXMHRQOHR-UHFFFAOYSA-N 1 0 396.512 4.010 20 10 GICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2)cc1 ZINC000121845976 823261785 /nfs/dbraw/zinc/26/17/85/823261785.db2.gz KVESFUQMRRJVCK-QGZVFWFLSA-N 1 0 393.531 4.363 20 10 GICDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000121877106 823268366 /nfs/dbraw/zinc/26/83/66/823268366.db2.gz GGFRWCVTPYEZPN-ROUUACIJSA-N 1 0 394.494 4.260 20 10 GICDRO CN(Cc1ccccc1O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000057632971 823316452 /nfs/dbraw/zinc/31/64/52/823316452.db2.gz HGOIFTAMPSPHDT-UHFFFAOYSA-N 1 0 381.520 4.110 20 10 GICDRO COc1ccc(N2CCC[N@H+](Cc3ccc(SC(=O)N(C)C)cc3)CC2)cc1 ZINC000176883104 823316881 /nfs/dbraw/zinc/31/68/81/823316881.db2.gz NISDJRCUVYOAEV-UHFFFAOYSA-N 1 0 399.560 4.181 20 10 GICDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 ZINC000122688769 823395010 /nfs/dbraw/zinc/39/50/10/823395010.db2.gz KLQTVZSOGBAOSB-HXOBKFHXSA-N 1 0 385.504 4.206 20 10 GICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000177255856 823411201 /nfs/dbraw/zinc/41/12/01/823411201.db2.gz GBULSPQWSABIRX-RTBURBONSA-N 1 0 376.504 4.121 20 10 GICDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000122784910 823411836 /nfs/dbraw/zinc/41/18/36/823411836.db2.gz KNLYZAJKXKHWSJ-CQSZACIVSA-N 1 0 379.426 4.278 20 10 GICDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000122784679 823411860 /nfs/dbraw/zinc/41/18/60/823411860.db2.gz KNLYZAJKXKHWSJ-AWEZNQCLSA-N 1 0 379.426 4.278 20 10 GICDRO Cc1ccc2c(C[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2c1C ZINC000123304211 823493301 /nfs/dbraw/zinc/49/33/01/823493301.db2.gz RCKKVGISGISRQF-GOSISDBHSA-N 1 0 392.499 4.097 20 10 GICDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000180994126 821581863 /nfs/dbraw/zinc/58/18/63/821581863.db2.gz UIDWRXLEUDCZGS-IAGOWNOFSA-N 1 0 396.510 4.444 20 10 GICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000181236393 821712237 /nfs/dbraw/zinc/71/22/37/821712237.db2.gz XWQIIPHWSMEEAD-CVEARBPZSA-N 1 0 387.455 4.291 20 10 GICDRO Cc1ccc([C@@H]([NH2+]Cc2cccc(C)c2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181348248 821777781 /nfs/dbraw/zinc/77/77/81/821777781.db2.gz ZVXGCZCINYFTGT-JOCHJYFZSA-N 1 0 395.524 4.292 20 10 GICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000181383132 821798344 /nfs/dbraw/zinc/79/83/44/821798344.db2.gz MGWSEHYTHDZEME-AWEZNQCLSA-N 1 0 378.875 4.175 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000182327321 822203600 /nfs/dbraw/zinc/20/36/00/822203600.db2.gz LWHAPZZYFHRXJE-INIZCTEOSA-N 1 0 376.456 4.357 20 10 GICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000182327342 822203732 /nfs/dbraw/zinc/20/37/32/822203732.db2.gz LWHAPZZYFHRXJE-MRXNPFEDSA-N 1 0 376.456 4.357 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccc3ccccc32)c1 ZINC000182338814 822207622 /nfs/dbraw/zinc/20/76/22/822207622.db2.gz WKEGTIQJLMEIEA-HOTGVXAUSA-N 1 0 378.472 4.082 20 10 GICDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000178356043 822370676 /nfs/dbraw/zinc/37/06/76/822370676.db2.gz WEKQLXVMGWSMNE-CVEARBPZSA-N 1 0 388.483 4.091 20 10 GICDRO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000178606941 822395920 /nfs/dbraw/zinc/39/59/20/822395920.db2.gz OOWHMJGJLKYRJQ-KBMIEXCESA-N 1 0 387.527 4.483 20 10 GICDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000045790291 822413961 /nfs/dbraw/zinc/41/39/61/822413961.db2.gz LPZNQZFQWUMZCR-UHFFFAOYSA-N 1 0 396.579 4.325 20 10 GICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)nc1 ZINC000179107790 822438876 /nfs/dbraw/zinc/43/88/76/822438876.db2.gz PIGIJVQJVWLBBH-CYBMUJFWSA-N 1 0 399.844 4.441 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1O ZINC000183428961 822473718 /nfs/dbraw/zinc/47/37/18/822473718.db2.gz MIPRYYLFKBFXGB-AWEZNQCLSA-N 1 0 380.410 4.098 20 10 GICDRO Oc1ccccc1C[N@@H+](Cc1c(C2CC2)nc2sccn12)C[C@H]1CCCO1 ZINC000183512920 822488311 /nfs/dbraw/zinc/48/83/11/822488311.db2.gz YNTSTEKRLZNUJB-QGZVFWFLSA-N 1 0 383.517 4.160 20 10 GICDRO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179536398 822499339 /nfs/dbraw/zinc/49/93/39/822499339.db2.gz AGSMFWXQFSEWSN-HNNXBMFYSA-N 1 0 391.556 4.310 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000183737214 822519278 /nfs/dbraw/zinc/51/92/78/822519278.db2.gz KCLUEPQQHFIVRO-SFHVURJKSA-N 1 0 379.504 4.484 20 10 GICDRO Cc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1NC(=O)CC[NH+](C)C ZINC000183774438 822526565 /nfs/dbraw/zinc/52/65/65/822526565.db2.gz LFQGUVVYWIXMST-UHFFFAOYSA-N 1 0 394.563 4.488 20 10 GICDRO C[C@@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000179968207 822587379 /nfs/dbraw/zinc/58/73/79/822587379.db2.gz ZWUYQIRROFDYMX-QRWLVFNGSA-N 1 0 388.458 4.366 20 10 GICDRO Oc1cc2c(cc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)OCO2 ZINC000180509638 822693777 /nfs/dbraw/zinc/69/37/77/822693777.db2.gz DEWXGPMMFABPOQ-RDJZCZTQSA-N 1 0 375.490 4.051 20 10 GICDRO COc1cc(Br)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000180543741 822699497 /nfs/dbraw/zinc/69/94/97/822699497.db2.gz RIZNINCBQXNMSP-CYBMUJFWSA-N 1 0 393.325 4.383 20 10 GICDRO CSCC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1nnc2ccccn21 ZINC000184907606 822711281 /nfs/dbraw/zinc/71/12/81/822711281.db2.gz XHBPKFLUTZSJJA-DOMZBBRYSA-N 1 0 376.913 4.233 20 10 GICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)c1 ZINC000184983829 822721681 /nfs/dbraw/zinc/72/16/81/822721681.db2.gz QRYZHYYUNSEDGN-LBPRGKRZSA-N 1 0 385.382 4.201 20 10 GICDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2O)c(OC)c1OC ZINC000185327257 822766458 /nfs/dbraw/zinc/76/64/58/822766458.db2.gz MDXWNKAZOUWCPS-HNNXBMFYSA-N 1 0 381.472 4.465 20 10 GICDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000174620995 822813634 /nfs/dbraw/zinc/81/36/34/822813634.db2.gz FEDLQEXMORDHNX-GOSISDBHSA-N 1 0 389.446 4.005 20 10 GICDRO CN(C)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174631640 822814882 /nfs/dbraw/zinc/81/48/82/822814882.db2.gz JMRUFZCLXYRRBI-HSZRJFAPSA-N 1 0 394.540 4.035 20 10 GICDRO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N2CCCCC2)cc1 ZINC000123936208 823553121 /nfs/dbraw/zinc/55/31/21/823553121.db2.gz JOQROLXDNNMAGE-RXVVDRJESA-N 1 0 377.532 4.412 20 10 GICDRO COc1ccc(N2CCC([NH2+]Cc3cc(OC)nc4ccccc34)CC2)cc1 ZINC000124902737 823635569 /nfs/dbraw/zinc/63/55/69/823635569.db2.gz WQMWJMJCSAAGLU-UHFFFAOYSA-N 1 0 377.488 4.011 20 10 GICDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163340044 823702471 /nfs/dbraw/zinc/70/24/71/823702471.db2.gz UQUJPQYZOYBHIQ-LSDHHAIUSA-N 1 0 376.447 4.222 20 10 GICDRO COc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000163910028 823759721 /nfs/dbraw/zinc/75/97/21/823759721.db2.gz UMEQHLPMUPGRLH-UHFFFAOYSA-N 1 0 396.531 4.046 20 10 GICDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1O ZINC000164258577 823790134 /nfs/dbraw/zinc/79/01/34/823790134.db2.gz GUBCOBTULAUQMV-MRXNPFEDSA-N 1 0 397.450 4.278 20 10 GICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1F ZINC000126136285 823796671 /nfs/dbraw/zinc/79/66/71/823796671.db2.gz ZPOWKJZWPKPOHV-AWEZNQCLSA-N 1 0 393.300 4.276 20 10 GICDRO COc1ccc(N2CCC([NH2+]Cc3ccc(OC(F)F)c(F)c3)CC2)cc1 ZINC000168221800 823901268 /nfs/dbraw/zinc/90/12/68/823901268.db2.gz PTRISNHDRXTPBY-UHFFFAOYSA-N 1 0 380.410 4.194 20 10 GICDRO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000168624656 823904963 /nfs/dbraw/zinc/90/49/63/823904963.db2.gz FATACJMVSVEQAQ-OAHLLOKOSA-N 1 0 394.437 4.423 20 10 GICDRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000168624545 823905052 /nfs/dbraw/zinc/90/50/52/823905052.db2.gz FATACJMVSVEQAQ-HNNXBMFYSA-N 1 0 394.437 4.423 20 10 GICDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000170896201 824002319 /nfs/dbraw/zinc/00/23/19/824002319.db2.gz LUNZICYSZVTBCW-JOCHJYFZSA-N 1 0 398.595 4.084 20 10 GICDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000127072748 824011512 /nfs/dbraw/zinc/01/15/12/824011512.db2.gz HERYAYBKXLQEQM-GFCCVEGCSA-N 1 0 385.455 4.158 20 10 GICDRO CCOc1ccccc1C(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000359972651 212129103 /nfs/dbraw/zinc/12/91/03/212129103.db2.gz GIGFSTNEPTWKHC-KRWDZBQOSA-N 1 0 382.504 4.055 20 10 GICDRO