smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)C12CCC2 ZINC000405218752 802044319 /nfs/dbraw/zinc/04/43/19/802044319.db2.gz LNSXFBSFLRMHGC-ZIAGYGMSSA-N 2 2 320.437 2.309 50 0 DEAALP Cc1cn2cc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)ccc2[nH+]1 ZINC000082108040 192356597 /nfs/dbraw/zinc/35/65/97/192356597.db2.gz PMHLDNQSVCIMJR-UHFFFAOYSA-N 2 2 321.384 2.000 50 0 DEAALP CC(C)[NH+]1CCC(C[N@@H+]2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000082139475 192362289 /nfs/dbraw/zinc/36/22/89/192362289.db2.gz GQVGWUORXRMWLE-UHFFFAOYSA-N 2 2 315.461 2.456 50 0 DEAALP CC(C)[NH+]1CCC(C[N@H+]2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000082139475 192362290 /nfs/dbraw/zinc/36/22/90/192362290.db2.gz GQVGWUORXRMWLE-UHFFFAOYSA-N 2 2 315.461 2.456 50 0 DEAALP C[NH2+][C@H]1CCCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000255226596 282624357 /nfs/dbraw/zinc/62/43/57/282624357.db2.gz UIOGLVYFVYQJTK-HWYHOQROSA-N 2 2 310.401 2.096 50 0 DEAALP CC(=O)NCCn1cc[nH+]c1-c1cccc([C@@H](C)[NH+](C)C)c1 ZINC000071755103 191024760 /nfs/dbraw/zinc/02/47/60/191024760.db2.gz LZJHEYSXXQSMDG-CYBMUJFWSA-N 2 2 300.406 2.309 50 0 DEAALP CCOc1cc2c(cc1C[N@@H+]1CC[C@@](O)(C[NH+](C)C)C1)CCC2 ZINC000072409208 191153288 /nfs/dbraw/zinc/15/32/88/191153288.db2.gz HZVBSIAFIYHVGQ-LJQANCHMSA-N 2 2 318.461 2.072 50 0 DEAALP CCOc1cc2c(cc1C[N@H+]1CC[C@@](O)(C[NH+](C)C)C1)CCC2 ZINC000072409208 191153290 /nfs/dbraw/zinc/15/32/90/191153290.db2.gz HZVBSIAFIYHVGQ-LJQANCHMSA-N 2 2 318.461 2.072 50 0 DEAALP CC[C@H](Cn1cc[nH+]c1)NC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000584895684 357328636 /nfs/dbraw/zinc/32/86/36/357328636.db2.gz FWPHHHNWPIBNLS-OAHLLOKOSA-N 2 2 304.438 2.187 50 0 DEAALP CCn1cc[nH+]c1CN(C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000584894347 357329082 /nfs/dbraw/zinc/32/90/82/357329082.db2.gz SJVVLLACDIJWSJ-CQSZACIVSA-N 2 2 321.469 2.165 50 0 DEAALP CCn1cc[nH+]c1CN(C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000584894347 357329085 /nfs/dbraw/zinc/32/90/85/357329085.db2.gz SJVVLLACDIJWSJ-CQSZACIVSA-N 2 2 321.469 2.165 50 0 DEAALP CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc3[nH+]c(C)[nH]c3c2)C1 ZINC000584897610 357329714 /nfs/dbraw/zinc/32/97/14/357329714.db2.gz WHNLABOVZZDUTQ-ZDUSSCGKSA-N 2 2 302.378 2.192 50 0 DEAALP CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc3[nH]c(C)[nH+]c3c2)C1 ZINC000584897610 357329717 /nfs/dbraw/zinc/32/97/17/357329717.db2.gz WHNLABOVZZDUTQ-ZDUSSCGKSA-N 2 2 302.378 2.192 50 0 DEAALP O[C@H]1CCC[N@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000670458219 540937020 /nfs/dbraw/zinc/93/70/20/540937020.db2.gz AROOLMSTMWBHOR-LBPRGKRZSA-N 2 2 303.328 2.359 50 0 DEAALP O[C@H]1CCC[N@@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000670458219 540937023 /nfs/dbraw/zinc/93/70/23/540937023.db2.gz AROOLMSTMWBHOR-LBPRGKRZSA-N 2 2 303.328 2.359 50 0 DEAALP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)c1ccco1 ZINC000058354799 184107836 /nfs/dbraw/zinc/10/78/36/184107836.db2.gz HAWLLWSFXXOADU-ZIAGYGMSSA-N 2 2 304.394 2.236 50 0 DEAALP Cc1ccc(NC[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)[nH+]c1 ZINC000065487569 184352370 /nfs/dbraw/zinc/35/23/70/184352370.db2.gz RFTWAQMIKGZVQI-MRXNPFEDSA-N 2 2 312.417 2.023 50 0 DEAALP Cc1ccc(NC[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)[nH+]c1 ZINC000065487569 184352372 /nfs/dbraw/zinc/35/23/72/184352372.db2.gz RFTWAQMIKGZVQI-MRXNPFEDSA-N 2 2 312.417 2.023 50 0 DEAALP NC(=O)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000026160463 257210859 /nfs/dbraw/zinc/21/08/59/257210859.db2.gz LXOGFOCLZLMTMC-LJQANCHMSA-N 2 2 323.440 2.467 50 0 DEAALP c1ccc2[nH+]c(NC3CC[NH+](C[C@H]4CCOC4)CC3)[nH]c2c1 ZINC000270600302 257238121 /nfs/dbraw/zinc/23/81/21/257238121.db2.gz VTZUFFAEKRBFII-CYBMUJFWSA-N 2 2 300.406 2.476 50 0 DEAALP CC(C)c1noc([C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000051959548 402037732 /nfs/dbraw/zinc/03/77/32/402037732.db2.gz UCJULLUZBSBEKY-CQSZACIVSA-N 2 2 322.453 2.298 50 0 DEAALP COC(=O)C1CC[NH+](CCC[NH+]2C[C@@H](C)S[C@H](C)C2)CC1 ZINC000097048463 402103077 /nfs/dbraw/zinc/10/30/77/402103077.db2.gz BQGQRDXYFZHSEH-ZIAGYGMSSA-N 2 2 314.495 2.087 50 0 DEAALP COCCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000096179998 402064676 /nfs/dbraw/zinc/06/46/76/402064676.db2.gz OYPBLNUZMIXNSQ-OAHLLOKOSA-N 2 2 320.437 2.178 50 0 DEAALP COCCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000096179998 402064679 /nfs/dbraw/zinc/06/46/79/402064679.db2.gz OYPBLNUZMIXNSQ-OAHLLOKOSA-N 2 2 320.437 2.178 50 0 DEAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000097446937 402125089 /nfs/dbraw/zinc/12/50/89/402125089.db2.gz ZOXWRLDVFOLIEP-MRXNPFEDSA-N 2 2 310.401 2.387 50 0 DEAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000097446937 402125092 /nfs/dbraw/zinc/12/50/92/402125092.db2.gz ZOXWRLDVFOLIEP-MRXNPFEDSA-N 2 2 310.401 2.387 50 0 DEAALP c1cc2c(nc[nH+]c2N2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000065411020 402125168 /nfs/dbraw/zinc/12/51/68/402125168.db2.gz QIQMABNUFXJSSL-UHFFFAOYSA-N 2 2 307.401 2.323 50 0 DEAALP COc1cc2c(cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)OCO2 ZINC000097711592 402130960 /nfs/dbraw/zinc/13/09/60/402130960.db2.gz JWWBRPQFIQHCGD-AWEZNQCLSA-N 2 2 306.406 2.340 50 0 DEAALP COc1cc2c(cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1)OCO2 ZINC000097711592 402130962 /nfs/dbraw/zinc/13/09/62/402130962.db2.gz JWWBRPQFIQHCGD-AWEZNQCLSA-N 2 2 306.406 2.340 50 0 DEAALP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccn[nH]2)C[C@H](C)O1 ZINC000066990220 402149659 /nfs/dbraw/zinc/14/96/59/402149659.db2.gz QYWOUZJBKNLEGE-GASCZTMLSA-N 2 2 314.433 2.309 50 0 DEAALP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccn[nH]2)C[C@H](C)O1 ZINC000066990220 402149662 /nfs/dbraw/zinc/14/96/62/402149662.db2.gz QYWOUZJBKNLEGE-GASCZTMLSA-N 2 2 314.433 2.309 50 0 DEAALP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cc[nH]n2)C[C@H](C)O1 ZINC000066990220 402149664 /nfs/dbraw/zinc/14/96/64/402149664.db2.gz QYWOUZJBKNLEGE-GASCZTMLSA-N 2 2 314.433 2.309 50 0 DEAALP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cc[nH]n2)C[C@H](C)O1 ZINC000066990220 402149667 /nfs/dbraw/zinc/14/96/67/402149667.db2.gz QYWOUZJBKNLEGE-GASCZTMLSA-N 2 2 314.433 2.309 50 0 DEAALP C[C@@H](C[NH+]1CCC2(CC1)C(=O)NCCC[N@H+]2C)c1ccccc1 ZINC000067956207 402180568 /nfs/dbraw/zinc/18/05/68/402180568.db2.gz IRMWVPGVEYULGP-INIZCTEOSA-N 2 2 315.461 2.076 50 0 DEAALP C[C@@H](C[NH+]1CCC2(CC1)C(=O)NCCC[N@@H+]2C)c1ccccc1 ZINC000067956207 402180570 /nfs/dbraw/zinc/18/05/70/402180570.db2.gz IRMWVPGVEYULGP-INIZCTEOSA-N 2 2 315.461 2.076 50 0 DEAALP Cc1nc(NCc2c[nH+]cn2C2CC2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000067843468 402174775 /nfs/dbraw/zinc/17/47/75/402174775.db2.gz XHGFIXVKTGSKIZ-ZDUSSCGKSA-N 2 2 312.421 2.396 50 0 DEAALP Cc1cc(Nc2cnn(Cc3cn4ccccc4[nH+]3)c2)nc(N)[nH+]1 ZINC000069485466 402225777 /nfs/dbraw/zinc/22/57/77/402225777.db2.gz GBJNMSHZGFXKDM-UHFFFAOYSA-N 2 2 320.360 2.003 50 0 DEAALP C[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000069655792 402237325 /nfs/dbraw/zinc/23/73/25/402237325.db2.gz ZFQGGUGRMMMYTQ-WBVHZDCISA-N 2 2 324.513 2.233 50 0 DEAALP C[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000069655792 402237327 /nfs/dbraw/zinc/23/73/27/402237327.db2.gz ZFQGGUGRMMMYTQ-WBVHZDCISA-N 2 2 324.513 2.233 50 0 DEAALP CCCC[N@@H+]1CCn2nc(CNc3cc[nH+]c(C)n3)cc2C1 ZINC000299785861 403574351 /nfs/dbraw/zinc/57/43/51/403574351.db2.gz OBWAFEUBTQIHRB-UHFFFAOYSA-N 2 2 300.410 2.209 50 0 DEAALP CCCC[N@H+]1CCn2nc(CNc3cc[nH+]c(C)n3)cc2C1 ZINC000299785861 403574353 /nfs/dbraw/zinc/57/43/53/403574353.db2.gz OBWAFEUBTQIHRB-UHFFFAOYSA-N 2 2 300.410 2.209 50 0 DEAALP Cc1cccc(CCSc2nnc([C@H]3CCC[NH2+]C3)n2C)[nH+]1 ZINC000426479673 405363141 /nfs/dbraw/zinc/36/31/41/405363141.db2.gz HMGVBHPQJRGNSC-ZDUSSCGKSA-N 2 2 317.462 2.320 50 0 DEAALP C[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)n1cc[nH+]c1 ZINC000054223124 279233788 /nfs/dbraw/zinc/23/37/88/279233788.db2.gz IRGAOAOQQCTCGN-INMHGKMJSA-N 2 2 312.417 2.396 50 0 DEAALP C[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)n1cc[nH+]c1 ZINC000054223124 279233789 /nfs/dbraw/zinc/23/37/89/279233789.db2.gz IRGAOAOQQCTCGN-INMHGKMJSA-N 2 2 312.417 2.396 50 0 DEAALP Cc1nnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c2ccccc12 ZINC000823759386 1090697537 /nfs/dbraw/zinc/69/75/37/1090697537.db2.gz DLEXIIZBCIJLLH-UHFFFAOYSA-N 2 2 313.449 2.376 50 0 DEAALP CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000089949139 185271096 /nfs/dbraw/zinc/27/10/96/185271096.db2.gz NQFJFVJWFBSNJH-NVXWUHKLSA-N 2 2 314.433 2.379 50 0 DEAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccsc2)nc[nH+]1 ZINC000072254087 191088661 /nfs/dbraw/zinc/08/86/61/191088661.db2.gz LSMLMXPMZCAAJC-ZDUSSCGKSA-N 2 2 303.435 2.338 50 0 DEAALP C[NH+](C)[C@@H](CNC1=[NH+]CCCN1)c1cccc(C(F)(F)F)c1 ZINC000183887455 186227391 /nfs/dbraw/zinc/22/73/91/186227391.db2.gz YXSCEJIJUSRYAF-ZDUSSCGKSA-N 2 2 314.355 2.247 50 0 DEAALP CCOc1ccc(Cl)cc1C[N@H+](C)C[C@@]1(O)CCC[NH2+]C1 ZINC000072431433 191162465 /nfs/dbraw/zinc/16/24/65/191162465.db2.gz WSVMYXFDEHBMFY-MRXNPFEDSA-N 2 2 312.841 2.285 50 0 DEAALP CCOc1ccc(Cl)cc1C[N@@H+](C)C[C@@]1(O)CCC[NH2+]C1 ZINC000072431433 191162468 /nfs/dbraw/zinc/16/24/68/191162468.db2.gz WSVMYXFDEHBMFY-MRXNPFEDSA-N 2 2 312.841 2.285 50 0 DEAALP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000237433112 202264456 /nfs/dbraw/zinc/26/44/56/202264456.db2.gz RRSKRWJWRJRGCQ-QAPCUYQASA-N 2 2 311.429 2.151 50 0 DEAALP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000237433112 202264459 /nfs/dbraw/zinc/26/44/59/202264459.db2.gz RRSKRWJWRJRGCQ-QAPCUYQASA-N 2 2 311.429 2.151 50 0 DEAALP COc1cccc([C@H]2CC[N@H+](CCc3[nH+]ccn3C)C2)c1OC ZINC000670446514 540934612 /nfs/dbraw/zinc/93/46/12/540934612.db2.gz UYZCBZXTTFEMHN-AWEZNQCLSA-N 2 2 315.417 2.469 50 0 DEAALP COc1cccc([C@H]2CC[N@@H+](CCc3[nH+]ccn3C)C2)c1OC ZINC000670446514 540934614 /nfs/dbraw/zinc/93/46/14/540934614.db2.gz UYZCBZXTTFEMHN-AWEZNQCLSA-N 2 2 315.417 2.469 50 0 DEAALP C=Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cn1 ZINC000194318152 201200988 /nfs/dbraw/zinc/20/09/88/201200988.db2.gz TYWAIWXSPAQGAF-QAPCUYQASA-N 2 2 311.433 2.379 50 0 DEAALP C=Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cn1 ZINC000194318152 201200990 /nfs/dbraw/zinc/20/09/90/201200990.db2.gz TYWAIWXSPAQGAF-QAPCUYQASA-N 2 2 311.433 2.379 50 0 DEAALP c1[nH]c2c([nH+]1)CCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000095358706 193429550 /nfs/dbraw/zinc/42/95/50/193429550.db2.gz ASLXCOIXLRDQEA-UHFFFAOYSA-N 2 2 310.445 2.475 50 0 DEAALP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000058433561 184118527 /nfs/dbraw/zinc/11/85/27/184118527.db2.gz XKLUQUCHQKKTJC-UHFFFAOYSA-N 2 2 324.432 2.270 50 0 DEAALP c1[nH]nnc1SCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000065398886 184336379 /nfs/dbraw/zinc/33/63/79/184336379.db2.gz XQYCQABTLYEKGX-UHFFFAOYSA-N 2 2 317.462 2.151 50 0 DEAALP c1n[nH]nc1SCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000065398886 184336381 /nfs/dbraw/zinc/33/63/81/184336381.db2.gz XQYCQABTLYEKGX-UHFFFAOYSA-N 2 2 317.462 2.151 50 0 DEAALP CCn1cc[nH+]c1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000065405269 184337957 /nfs/dbraw/zinc/33/79/57/184337957.db2.gz QKWBGMQXTIXPTP-UHFFFAOYSA-N 2 2 310.445 2.188 50 0 DEAALP [NH3+]C[C@H]1CC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000065495826 184354918 /nfs/dbraw/zinc/35/49/18/184354918.db2.gz PXIQSGDGQYTMDE-SNVBAGLBSA-N 2 2 300.859 2.177 50 0 DEAALP [NH3+]C[C@H]1CC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000065495826 184354919 /nfs/dbraw/zinc/35/49/19/184354919.db2.gz PXIQSGDGQYTMDE-SNVBAGLBSA-N 2 2 300.859 2.177 50 0 DEAALP C[C@H]1CN(c2nc(N3CCCC3)[nH+]c3ccccc32)C[C@H](C)[NH2+]1 ZINC000004727692 401727389 /nfs/dbraw/zinc/72/73/89/401727389.db2.gz JRUDQZFHFOWAFQ-KBPBESRZSA-N 2 2 311.433 2.417 50 0 DEAALP C[C@H](O)C[NH2+]CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000020550776 401824600 /nfs/dbraw/zinc/82/46/00/401824600.db2.gz FDEWRGGYIHQGCH-INIZCTEOSA-N 2 2 314.429 2.326 50 0 DEAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(N(C)C)s1)CCC2 ZINC000089702143 401957981 /nfs/dbraw/zinc/95/79/81/401957981.db2.gz XEGIVEMDVXIKIC-GFCCVEGCSA-N 2 2 305.451 2.381 50 0 DEAALP C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000089905204 401972657 /nfs/dbraw/zinc/97/26/57/401972657.db2.gz IRWGUQRJSOJNHU-CYBMUJFWSA-N 2 2 309.841 2.107 50 0 DEAALP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000089905204 401972659 /nfs/dbraw/zinc/97/26/59/401972659.db2.gz IRWGUQRJSOJNHU-CYBMUJFWSA-N 2 2 309.841 2.107 50 0 DEAALP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccnc2)nc[nH+]1 ZINC000095351537 402026720 /nfs/dbraw/zinc/02/67/20/402026720.db2.gz ZTJFVDHKBCYVFM-ZFWWWQNUSA-N 2 2 312.421 2.233 50 0 DEAALP CCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000097463624 402125505 /nfs/dbraw/zinc/12/55/05/402125505.db2.gz UQHXKRMRHUCQKN-MRXNPFEDSA-N 2 2 318.465 2.339 50 0 DEAALP CCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000097463624 402125509 /nfs/dbraw/zinc/12/55/09/402125509.db2.gz UQHXKRMRHUCQKN-MRXNPFEDSA-N 2 2 318.465 2.339 50 0 DEAALP Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CCC[NH2+]CC2)n1 ZINC000097743648 402131435 /nfs/dbraw/zinc/13/14/35/402131435.db2.gz BZPHCJKXEMDNHW-UHFFFAOYSA-N 2 2 302.397 2.424 50 0 DEAALP Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CCC[NH2+]CC2)n1 ZINC000097743648 402131439 /nfs/dbraw/zinc/13/14/39/402131439.db2.gz BZPHCJKXEMDNHW-UHFFFAOYSA-N 2 2 302.397 2.424 50 0 DEAALP CCCc1ccc(C[NH+]2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000216288700 402287509 /nfs/dbraw/zinc/28/75/09/402287509.db2.gz XZXZLEPJMVGQHM-UHFFFAOYSA-N 2 2 305.466 2.444 50 0 DEAALP Cc1c(CNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)oc2ccccc12 ZINC000299756387 403566967 /nfs/dbraw/zinc/56/69/67/403566967.db2.gz HMAIRTZHSSNCCG-UHFFFAOYSA-N 2 2 315.417 2.041 50 0 DEAALP Cc1c(CNC(=O)C[N@H+](C)C2CC[NH2+]CC2)oc2ccccc12 ZINC000299756387 403566969 /nfs/dbraw/zinc/56/69/69/403566969.db2.gz HMAIRTZHSSNCCG-UHFFFAOYSA-N 2 2 315.417 2.041 50 0 DEAALP CON1CCC([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000421392083 405486472 /nfs/dbraw/zinc/48/64/72/405486472.db2.gz BNCVVXXUYHVXTH-UHFFFAOYSA-N 2 2 300.406 2.296 50 0 DEAALP Cc1cccc(N2CC[N@H+](CCOC[C@H]3CCCO3)[C@H](C)C2)[nH+]1 ZINC000248122275 225236347 /nfs/dbraw/zinc/23/63/47/225236347.db2.gz VSIAKRANLXHSTH-IAGOWNOFSA-N 2 2 319.449 2.096 50 0 DEAALP Cc1cccc(N2CC[N@@H+](CCOC[C@H]3CCCO3)[C@H](C)C2)[nH+]1 ZINC000248122275 225236351 /nfs/dbraw/zinc/23/63/51/225236351.db2.gz VSIAKRANLXHSTH-IAGOWNOFSA-N 2 2 319.449 2.096 50 0 DEAALP Cc1[nH+]ccn1CC(=O)N1CCCn2cc[nH+]c2[C@H]1C(C)C ZINC000257193834 424888886 /nfs/dbraw/zinc/88/88/86/424888886.db2.gz SANUHLIKIBQUBZ-OAHLLOKOSA-N 2 2 301.394 2.018 50 0 DEAALP CC[N@@H+]1CCC[C@@](O)(C[NH+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000041124089 276374006 /nfs/dbraw/zinc/37/40/06/276374006.db2.gz ZLKMAIPQEUTPRD-IBGZPJMESA-N 2 2 313.445 2.373 50 0 DEAALP CC[N@H+]1CCC[C@@](O)(C[NH+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000041124089 276374009 /nfs/dbraw/zinc/37/40/09/276374009.db2.gz ZLKMAIPQEUTPRD-IBGZPJMESA-N 2 2 313.445 2.373 50 0 DEAALP CC[NH+]1CCC[C@@](O)(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000041124089 276374011 /nfs/dbraw/zinc/37/40/11/276374011.db2.gz ZLKMAIPQEUTPRD-IBGZPJMESA-N 2 2 313.445 2.373 50 0 DEAALP CC[NH+]1CCC[C@@](O)(C[N@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000041124089 276374013 /nfs/dbraw/zinc/37/40/13/276374013.db2.gz ZLKMAIPQEUTPRD-IBGZPJMESA-N 2 2 313.445 2.373 50 0 DEAALP C[C@H](c1nnnn1C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000248936834 290287740 /nfs/dbraw/zinc/28/77/40/290287740.db2.gz CBXNFXDITIIMOD-LSDHHAIUSA-N 2 2 320.485 2.248 50 0 DEAALP C[C@H](c1nnnn1C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000248936834 290287742 /nfs/dbraw/zinc/28/77/42/290287742.db2.gz CBXNFXDITIIMOD-LSDHHAIUSA-N 2 2 320.485 2.248 50 0 DEAALP COc1ccc(OC)c([C@H]2CC[N@H+](CCc3[nH+]ccn3C)C2)c1 ZINC001506425762 1061971241 /nfs/dbraw/zinc/97/12/41/1061971241.db2.gz RFLTWMZYHGORDM-AWEZNQCLSA-N 2 2 315.417 2.469 50 0 DEAALP COc1ccc(OC)c([C@H]2CC[N@@H+](CCc3[nH+]ccn3C)C2)c1 ZINC001506425762 1061971255 /nfs/dbraw/zinc/97/12/55/1061971255.db2.gz RFLTWMZYHGORDM-AWEZNQCLSA-N 2 2 315.417 2.469 50 0 DEAALP c1cc(-c2noc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)co1 ZINC000079105504 185158937 /nfs/dbraw/zinc/15/89/37/185158937.db2.gz CPLCOXJFBSTWRL-CQSZACIVSA-N 2 2 312.329 2.378 50 0 DEAALP c1cc(-c2noc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)co1 ZINC000079105504 185158938 /nfs/dbraw/zinc/15/89/38/185158938.db2.gz CPLCOXJFBSTWRL-CQSZACIVSA-N 2 2 312.329 2.378 50 0 DEAALP C[N@H+](CC(=O)N1CCC[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000097604100 282344993 /nfs/dbraw/zinc/34/49/93/282344993.db2.gz QDFIRIDGJSQWOX-KRWDZBQOSA-N 2 2 301.434 2.034 50 0 DEAALP C[N@@H+](CC(=O)N1CCC[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000097604100 282344998 /nfs/dbraw/zinc/34/49/98/282344998.db2.gz QDFIRIDGJSQWOX-KRWDZBQOSA-N 2 2 301.434 2.034 50 0 DEAALP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000185404217 356206396 /nfs/dbraw/zinc/20/63/96/356206396.db2.gz MKWYNDLQRWKLLS-CVEARBPZSA-N 2 2 324.490 2.089 50 0 DEAALP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000185404217 356206402 /nfs/dbraw/zinc/20/64/02/356206402.db2.gz MKWYNDLQRWKLLS-CVEARBPZSA-N 2 2 324.490 2.089 50 0 DEAALP CC[C@H]1Oc2cc([C@H](C)[NH2+]CCn3cc[nH+]c3)ccc2NC1=O ZINC000180008947 199106518 /nfs/dbraw/zinc/10/65/18/199106518.db2.gz SMWFFOCAXFAWKG-SWLSCSKDSA-N 2 2 314.389 2.343 50 0 DEAALP COCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000091548115 193071921 /nfs/dbraw/zinc/07/19/21/193071921.db2.gz XKPHYXHJNJWXTH-ZDUSSCGKSA-N 2 2 306.435 2.366 50 0 DEAALP COCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000091548115 193071923 /nfs/dbraw/zinc/07/19/23/193071923.db2.gz XKPHYXHJNJWXTH-ZDUSSCGKSA-N 2 2 306.435 2.366 50 0 DEAALP OC[C@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1C[NH+]1CCCC1 ZINC000091896560 193124018 /nfs/dbraw/zinc/12/40/18/193124018.db2.gz WHCKCDVBKCGHTP-HUUCEWRRSA-N 2 2 310.388 2.101 50 0 DEAALP OC[C@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1C[NH+]1CCCC1 ZINC000091896560 193124020 /nfs/dbraw/zinc/12/40/20/193124020.db2.gz WHCKCDVBKCGHTP-HUUCEWRRSA-N 2 2 310.388 2.101 50 0 DEAALP COc1ccccc1C[N@@H+]1CCC[C@@H](C[NH2+]CCN(C)C)C1 ZINC000019735521 182140002 /nfs/dbraw/zinc/14/00/02/182140002.db2.gz OZPAOOQAVTXKOP-INIZCTEOSA-N 2 2 305.466 2.058 50 0 DEAALP COc1ccccc1C[N@H+]1CCC[C@@H](C[NH2+]CCN(C)C)C1 ZINC000019735521 182140006 /nfs/dbraw/zinc/14/00/06/182140006.db2.gz OZPAOOQAVTXKOP-INIZCTEOSA-N 2 2 305.466 2.058 50 0 DEAALP C[C@@H](Cn1cncn1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000065387934 184333910 /nfs/dbraw/zinc/33/39/10/184333910.db2.gz OBPKXLHCPDLUQS-INIZCTEOSA-N 2 2 305.470 2.445 50 0 DEAALP CC(=O)NC1CC[NH+](CC2=CCC[N@@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000065394590 184334706 /nfs/dbraw/zinc/33/47/06/184334706.db2.gz URXOSSAYPFNGHO-LJQANCHMSA-N 2 2 317.477 2.328 50 0 DEAALP CC(=O)NC1CC[NH+](CC2=CCC[N@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000065394590 184334707 /nfs/dbraw/zinc/33/47/07/184334707.db2.gz URXOSSAYPFNGHO-LJQANCHMSA-N 2 2 317.477 2.328 50 0 DEAALP Cn1cc[nH+]c1CN1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072408428 257270819 /nfs/dbraw/zinc/27/08/19/257270819.db2.gz HKAFPSUUJVECCL-GOSISDBHSA-N 2 2 310.445 2.095 50 0 DEAALP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000013930323 401805215 /nfs/dbraw/zinc/80/52/15/401805215.db2.gz TXQYAUAFXZOSLW-INIZCTEOSA-N 2 2 317.433 2.426 50 0 DEAALP Cn1ncc2c1nc[nH+]c2NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029585285 401857537 /nfs/dbraw/zinc/85/75/37/401857537.db2.gz VLRAYPLMCAZWCF-UHFFFAOYSA-N 2 2 319.372 2.220 50 0 DEAALP C[C@H]1C[NH+]=C(N2CC[NH+](CCCCCn3cccn3)CC2)S1 ZINC000079497580 401874820 /nfs/dbraw/zinc/87/48/20/401874820.db2.gz XZQMBPXSIUNWMO-HNNXBMFYSA-N 2 2 321.494 2.162 50 0 DEAALP Cc1nnc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000084291494 401904356 /nfs/dbraw/zinc/90/43/56/401904356.db2.gz OCZIYLDMXKMFRL-OKILXGFUSA-N 2 2 322.453 2.089 50 0 DEAALP Cc1nnc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000084291494 401904359 /nfs/dbraw/zinc/90/43/59/401904359.db2.gz OCZIYLDMXKMFRL-OKILXGFUSA-N 2 2 322.453 2.089 50 0 DEAALP O=C(NC1CC1)[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000084519370 401906322 /nfs/dbraw/zinc/90/63/22/401906322.db2.gz PKWDMPYYTJIQRQ-NVXWUHKLSA-N 2 2 324.428 2.370 50 0 DEAALP CC[C@@H]1CN(Cc2c[nH+]c3ccc(C)cn23)CC[N@@H+]1CCOC ZINC000120979822 402009310 /nfs/dbraw/zinc/00/93/10/402009310.db2.gz WFUXSQKQUYDBOF-MRXNPFEDSA-N 2 2 316.449 2.185 50 0 DEAALP CC[C@@H]1CN(Cc2c[nH+]c3ccc(C)cn23)CC[N@H+]1CCOC ZINC000120979822 402009314 /nfs/dbraw/zinc/00/93/14/402009314.db2.gz WFUXSQKQUYDBOF-MRXNPFEDSA-N 2 2 316.449 2.185 50 0 DEAALP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096502944 402097986 /nfs/dbraw/zinc/09/79/86/402097986.db2.gz UJMOQZUWIFDGCK-CQSZACIVSA-N 2 2 320.437 2.247 50 0 DEAALP CCn1c[nH+]cc1CNc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067460007 402160015 /nfs/dbraw/zinc/16/00/15/402160015.db2.gz VFSPKZWOZBTDGL-UHFFFAOYSA-N 2 2 300.410 2.081 50 0 DEAALP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ncc[nH]3)cc2)C[C@@H](C)O1 ZINC000067668528 402166586 /nfs/dbraw/zinc/16/65/86/402166586.db2.gz FAJXDMTWWXBCJV-HUUCEWRRSA-N 2 2 314.433 2.309 50 0 DEAALP C[N@H+](C[C@H](NC(=O)C1CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000069326057 402218346 /nfs/dbraw/zinc/21/83/46/402218346.db2.gz VHLUKNDYQHQHLR-SFHVURJKSA-N 2 2 315.461 2.280 50 0 DEAALP C[N@@H+](C[C@H](NC(=O)C1CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000069326057 402218347 /nfs/dbraw/zinc/21/83/47/402218347.db2.gz VHLUKNDYQHQHLR-SFHVURJKSA-N 2 2 315.461 2.280 50 0 DEAALP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000071828221 402284530 /nfs/dbraw/zinc/28/45/30/402284530.db2.gz PTYPNIRYRUOLRL-HNNXBMFYSA-N 2 2 300.406 2.269 50 0 DEAALP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000071828221 402284532 /nfs/dbraw/zinc/28/45/32/402284532.db2.gz PTYPNIRYRUOLRL-HNNXBMFYSA-N 2 2 300.406 2.269 50 0 DEAALP c1cn(CCC[N@@H+](Cc2ccncc2)C[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000216163694 402286509 /nfs/dbraw/zinc/28/65/09/402286509.db2.gz UVXYBJJKXHTIDO-GOSISDBHSA-N 3 2 313.449 2.170 50 0 DEAALP c1cn(CCC[N@H+](Cc2ccncc2)C[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000216163694 402286513 /nfs/dbraw/zinc/28/65/13/402286513.db2.gz UVXYBJJKXHTIDO-GOSISDBHSA-N 3 2 313.449 2.170 50 0 DEAALP CC(C)[N@@H+]1CC[C@H](C[NH+](C)CC(=O)N(C)c2ccccc2)C1 ZINC000244882683 402450681 /nfs/dbraw/zinc/45/06/81/402450681.db2.gz XWNOBHGVHNSTPU-MRXNPFEDSA-N 2 2 303.450 2.312 50 0 DEAALP CC(C)[N@H+]1CC[C@H](C[NH+](C)CC(=O)N(C)c2ccccc2)C1 ZINC000244882683 402450683 /nfs/dbraw/zinc/45/06/83/402450683.db2.gz XWNOBHGVHNSTPU-MRXNPFEDSA-N 2 2 303.450 2.312 50 0 DEAALP CC(C)[NH+]1CC[C@H](C[N@H+](C)CC(=O)N(C)c2ccccc2)C1 ZINC000244882683 402450685 /nfs/dbraw/zinc/45/06/85/402450685.db2.gz XWNOBHGVHNSTPU-MRXNPFEDSA-N 2 2 303.450 2.312 50 0 DEAALP CC(C)[NH+]1CC[C@H](C[N@@H+](C)CC(=O)N(C)c2ccccc2)C1 ZINC000244882683 402450686 /nfs/dbraw/zinc/45/06/86/402450686.db2.gz XWNOBHGVHNSTPU-MRXNPFEDSA-N 2 2 303.450 2.312 50 0 DEAALP C[C@H](C[NH+]1CCN(Cc2[nH+]ccn2C)CC1)c1ccc(F)cc1 ZINC000170603012 402506603 /nfs/dbraw/zinc/50/66/03/402506603.db2.gz VAGORBQNOMYVMK-OAHLLOKOSA-N 2 2 316.424 2.481 50 0 DEAALP CCCCc1[nH]c(C[N@@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)c[nH+]1 ZINC000299802759 403579475 /nfs/dbraw/zinc/57/94/75/403579475.db2.gz OZLHZCBYWGIGEF-HLLBOEOZSA-N 2 2 307.438 2.257 50 0 DEAALP CCCCc1[nH]c(C[N@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)c[nH+]1 ZINC000299802759 403579478 /nfs/dbraw/zinc/57/94/78/403579478.db2.gz OZLHZCBYWGIGEF-HLLBOEOZSA-N 2 2 307.438 2.257 50 0 DEAALP C[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)n1cc[nH+]c1 ZINC000106135163 279229879 /nfs/dbraw/zinc/22/98/79/279229879.db2.gz IRGAOAOQQCTCGN-BFYDXBDKSA-N 2 2 312.417 2.396 50 0 DEAALP C[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)n1cc[nH+]c1 ZINC000106135163 279229880 /nfs/dbraw/zinc/22/98/80/279229880.db2.gz IRGAOAOQQCTCGN-BFYDXBDKSA-N 2 2 312.417 2.396 50 0 DEAALP O=C(NCCc1[nH]cc[nH+]1)C1([NH+]2CCCCC2)CCCCC1 ZINC000534589052 334293550 /nfs/dbraw/zinc/29/35/50/334293550.db2.gz JEFQEKJHJKOFED-UHFFFAOYSA-N 2 2 304.438 2.257 50 0 DEAALP CCCn1cc[nH+]c1CNC(=O)N(C)CC[NH+]1CCCCCC1 ZINC000534591450 334294402 /nfs/dbraw/zinc/29/44/02/334294402.db2.gz GUEWAGCECRESIC-UHFFFAOYSA-N 2 2 321.469 2.311 50 0 DEAALP Cc1nnc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC001506414946 1061958056 /nfs/dbraw/zinc/95/80/56/1061958056.db2.gz SYTBGUWNRZVAEG-UHFFFAOYSA-N 2 2 313.449 2.457 50 0 DEAALP Cc1nnc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC001506414946 1061958071 /nfs/dbraw/zinc/95/80/71/1061958071.db2.gz SYTBGUWNRZVAEG-UHFFFAOYSA-N 2 2 313.449 2.457 50 0 DEAALP CC(C)c1nnc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000170055033 539614437 /nfs/dbraw/zinc/61/44/37/539614437.db2.gz FYIBLDMGKHUHNR-CYBMUJFWSA-N 2 2 303.410 2.381 50 0 DEAALP CC(C)c1nnc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000170055033 539614440 /nfs/dbraw/zinc/61/44/40/539614440.db2.gz FYIBLDMGKHUHNR-CYBMUJFWSA-N 2 2 303.410 2.381 50 0 DEAALP COC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000084048354 192398200 /nfs/dbraw/zinc/39/82/00/192398200.db2.gz KYTVAHFDSCPDGL-CQSZACIVSA-N 2 2 314.389 2.111 50 0 DEAALP CC(=O)NCCn1cc[nH+]c1-c1cccc([C@H](C)[NH+](C)C)c1 ZINC000071755102 191025051 /nfs/dbraw/zinc/02/50/51/191025051.db2.gz LZJHEYSXXQSMDG-ZDUSSCGKSA-N 2 2 300.406 2.309 50 0 DEAALP CC1(C)C[NH+]=C(N2CC[NH+](CCc3ccncc3)CC2)S1 ZINC000081016652 192215166 /nfs/dbraw/zinc/21/51/66/192215166.db2.gz CHUYUNLZOQBFAU-UHFFFAOYSA-N 2 2 304.463 2.123 50 0 DEAALP CCn1cc[nH+]c1CN(C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000584894346 357328911 /nfs/dbraw/zinc/32/89/11/357328911.db2.gz SJVVLLACDIJWSJ-AWEZNQCLSA-N 2 2 321.469 2.165 50 0 DEAALP CCn1cc[nH+]c1CN(C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000584894346 357328916 /nfs/dbraw/zinc/32/89/16/357328916.db2.gz SJVVLLACDIJWSJ-AWEZNQCLSA-N 2 2 321.469 2.165 50 0 DEAALP c1c[nH+]c(CC[NH+]2CCN(c3nsc4ccccc43)CC2)[nH]1 ZINC000670450668 540935169 /nfs/dbraw/zinc/93/51/69/540935169.db2.gz OAPRECBAOWQUOR-UHFFFAOYSA-N 2 2 313.430 2.384 50 0 DEAALP C/C=C(\C)C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C)CC1 ZINC000091425225 193053702 /nfs/dbraw/zinc/05/37/02/193053702.db2.gz SQNSTYZLCILHJH-LNKIKWGQSA-N 2 2 314.437 2.206 50 0 DEAALP CCc1[nH+]ccn1CCNC(=O)[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000091663576 193086784 /nfs/dbraw/zinc/08/67/84/193086784.db2.gz OQQWOPMWJXAHCO-KRWDZBQOSA-N 2 2 314.433 2.173 50 0 DEAALP C/C=C/CC(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000091950840 193131532 /nfs/dbraw/zinc/13/15/32/193131532.db2.gz ZAIVHTSIGBDBOG-SNAWJCMRSA-N 2 2 304.438 2.117 50 0 DEAALP CC(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(-c2ccco2)no1 ZINC000065385292 184333080 /nfs/dbraw/zinc/33/30/80/184333080.db2.gz QVTOUKGFAWFFBR-GFCCVEGCSA-N 2 2 301.350 2.341 50 0 DEAALP O=C(NCCc1c[nH+]c[nH]1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000065526037 184359460 /nfs/dbraw/zinc/35/94/60/184359460.db2.gz QFORBTZRFCQJLP-UHFFFAOYSA-N 2 2 312.417 2.368 50 0 DEAALP O=C(NCCc1c[nH]c[nH+]1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000065526037 184359461 /nfs/dbraw/zinc/35/94/61/184359461.db2.gz QFORBTZRFCQJLP-UHFFFAOYSA-N 2 2 312.417 2.368 50 0 DEAALP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Cl)c(F)c2)CC1 ZINC000155497044 197059855 /nfs/dbraw/zinc/05/98/55/197059855.db2.gz QUEZFWGDLPMBNI-UHFFFAOYSA-N 2 2 300.805 2.368 50 0 DEAALP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Cl)c(F)c2)CC1 ZINC000155497044 197059857 /nfs/dbraw/zinc/05/98/57/197059857.db2.gz QUEZFWGDLPMBNI-UHFFFAOYSA-N 2 2 300.805 2.368 50 0 DEAALP CCc1[nH+]c2c(c(C)c(C)n2CC[NH+]2CCOCC2)c(N)c1C ZINC000012408398 401785212 /nfs/dbraw/zinc/78/52/12/401785212.db2.gz GXFZJQOOTQXXPD-UHFFFAOYSA-N 2 2 316.449 2.438 50 0 DEAALP Cc1nc(C)c(C[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)s1 ZINC000079497602 401874576 /nfs/dbraw/zinc/87/45/76/401874576.db2.gz IOGHRRBNDUAORS-JTQLQIEISA-N 2 2 310.492 2.369 50 0 DEAALP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccco2)no1 ZINC000089735653 401959328 /nfs/dbraw/zinc/95/93/28/401959328.db2.gz YTYOXMCEQIKRBJ-UHFFFAOYSA-N 2 2 301.350 2.357 50 0 DEAALP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2ccco2)no1 ZINC000089735653 401959331 /nfs/dbraw/zinc/95/93/31/401959331.db2.gz YTYOXMCEQIKRBJ-UHFFFAOYSA-N 2 2 301.350 2.357 50 0 DEAALP Nc1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)n1 ZINC000095360287 402027823 /nfs/dbraw/zinc/02/78/23/402027823.db2.gz MZMBPZRFISCTRW-CQSZACIVSA-N 2 2 312.421 2.439 50 0 DEAALP Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)CN2 ZINC000058333154 402100505 /nfs/dbraw/zinc/10/05/05/402100505.db2.gz PRJBIRNXGKPWOH-HNNXBMFYSA-N 2 2 322.416 2.209 50 0 DEAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1noc(-c2c(F)cccc2F)n1 ZINC000067847718 402174811 /nfs/dbraw/zinc/17/48/11/402174811.db2.gz QQOQYVMOXRYSHT-SNVBAGLBSA-N 2 2 319.315 2.390 50 0 DEAALP c1ccc2[nH+]c(CCNc3cc([C@@H]4CCC[NH2+]C4)ncn3)[nH]c2c1 ZINC000067841067 402174878 /nfs/dbraw/zinc/17/48/78/402174878.db2.gz ILVAWBDQDFVSGT-CYBMUJFWSA-N 2 2 322.416 2.475 50 0 DEAALP COc1ccc(-n2cccn2)c(C[N@H+](C)CCn2cc[nH+]c2)c1 ZINC000215166045 402280601 /nfs/dbraw/zinc/28/06/01/402280601.db2.gz NONWORVKCPORLD-UHFFFAOYSA-N 2 2 311.389 2.209 50 0 DEAALP COc1ccc(-n2cccn2)c(C[N@@H+](C)CCn2cc[nH+]c2)c1 ZINC000215166045 402280602 /nfs/dbraw/zinc/28/06/02/402280602.db2.gz NONWORVKCPORLD-UHFFFAOYSA-N 2 2 311.389 2.209 50 0 DEAALP C[C@@H]1CCC[N@H+](CCCOc2ccccc2C[NH+]2CC(O)C2)C1 ZINC000215631704 402284269 /nfs/dbraw/zinc/28/42/69/402284269.db2.gz DWWMDQUVVQOBIO-MRXNPFEDSA-N 2 2 318.461 2.364 50 0 DEAALP C[C@@H]1CCC[N@@H+](CCCOc2ccccc2C[NH+]2CC(O)C2)C1 ZINC000215631704 402284270 /nfs/dbraw/zinc/28/42/70/402284270.db2.gz DWWMDQUVVQOBIO-MRXNPFEDSA-N 2 2 318.461 2.364 50 0 DEAALP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222198579 402306155 /nfs/dbraw/zinc/30/61/55/402306155.db2.gz KTWRCNKIJSTWAS-YOEHRIQHSA-N 2 2 310.401 2.042 50 0 DEAALP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222198579 402306157 /nfs/dbraw/zinc/30/61/57/402306157.db2.gz KTWRCNKIJSTWAS-YOEHRIQHSA-N 2 2 310.401 2.042 50 0 DEAALP CN(Cc1ccc(F)cc1)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000252536012 402658307 /nfs/dbraw/zinc/65/83/07/402658307.db2.gz HLCOTYSQWBERKF-BJHJDKERSA-N 2 2 301.369 2.039 50 0 DEAALP CC[NH+]1CCC(N2CCC[N@H+](Cc3nc(C)cs3)CC2)CC1 ZINC000420982081 405420487 /nfs/dbraw/zinc/42/04/87/405420487.db2.gz OOQFBWIXTLPFBF-UHFFFAOYSA-N 2 2 322.522 2.444 50 0 DEAALP CC[NH+]1CCC(N2CCC[N@@H+](Cc3nc(C)cs3)CC2)CC1 ZINC000420982081 405420488 /nfs/dbraw/zinc/42/04/88/405420488.db2.gz OOQFBWIXTLPFBF-UHFFFAOYSA-N 2 2 322.522 2.444 50 0 DEAALP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nc(C)cs3)CC2)CC1 ZINC000420982081 405420490 /nfs/dbraw/zinc/42/04/90/405420490.db2.gz OOQFBWIXTLPFBF-UHFFFAOYSA-N 2 2 322.522 2.444 50 0 DEAALP CC[NH+]1CCC([N@H+]2CCCN(Cc3nc(C)cs3)CC2)CC1 ZINC000420982081 405420491 /nfs/dbraw/zinc/42/04/91/405420491.db2.gz OOQFBWIXTLPFBF-UHFFFAOYSA-N 2 2 322.522 2.444 50 0 DEAALP CC(C)Cn1c(C[NH3+])nnc1SCc1c[nH+]cn1C(C)C ZINC000426490222 405364078 /nfs/dbraw/zinc/36/40/78/405364078.db2.gz QNTPZZREZMGEDN-UHFFFAOYSA-N 2 2 308.455 2.463 50 0 DEAALP CC1(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[NH2+]CC1 ZINC000020149386 683859242 /nfs/dbraw/zinc/85/92/42/683859242.db2.gz MFRKHILPQWNIHG-MRXNPFEDSA-N 2 2 312.417 2.130 50 0 DEAALP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)C1(C)C ZINC000404706054 802028312 /nfs/dbraw/zinc/02/83/12/802028312.db2.gz JFUSNEPREFQXDB-QWHCGFSZSA-N 2 2 308.426 2.165 50 0 DEAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CC2CC2)CC1 ZINC000082160598 185174188 /nfs/dbraw/zinc/17/41/88/185174188.db2.gz SVSYNRDDYXLRLP-UHFFFAOYSA-N 2 2 317.481 2.483 50 0 DEAALP C[C@@H](C1CCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1)[NH+](C)C ZINC000082134663 192361324 /nfs/dbraw/zinc/36/13/24/192361324.db2.gz SHSYUGNETWHHMK-HNNXBMFYSA-N 3 2 313.449 2.493 50 0 DEAALP C[C@@H](C1CCN(c2ccc(Cn3cc[nH+]c3)cn2)CC1)[NH+](C)C ZINC000082134663 192361327 /nfs/dbraw/zinc/36/13/27/192361327.db2.gz SHSYUGNETWHHMK-HNNXBMFYSA-N 2 2 313.449 2.493 50 0 DEAALP CN(CCCn1cc[nH+]c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000083860878 192387485 /nfs/dbraw/zinc/38/74/85/192387485.db2.gz UBMBNHNFNXNPRK-UHFFFAOYSA-N 2 2 309.373 2.231 50 0 DEAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000072278564 191100628 /nfs/dbraw/zinc/10/06/28/191100628.db2.gz PUPVJNVPPIUQCS-KRWDZBQOSA-N 2 2 324.428 2.224 50 0 DEAALP CC(C)[NH2+]CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000170089302 355985959 /nfs/dbraw/zinc/98/59/59/355985959.db2.gz DRYFXOMHXLAUIX-UHFFFAOYSA-N 2 2 307.413 2.474 50 0 DEAALP c1cc(C[NH+]2CCC([NH2+]C3CSCCSC3)CC2)ccn1 ZINC000584893341 357328118 /nfs/dbraw/zinc/32/81/18/357328118.db2.gz PJXKNRKFMDXRIE-UHFFFAOYSA-N 2 2 323.531 2.484 50 0 DEAALP Cc1cc(NC(=O)[C@@H]2C[C@H]2C(=O)Nc2cc[nH+]c(C)c2)cc[nH+]1 ZINC000194905209 201310182 /nfs/dbraw/zinc/31/01/82/201310182.db2.gz XZDOXMYDAIIWRR-HUUCEWRRSA-N 2 2 310.357 2.307 50 0 DEAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091603448 193078359 /nfs/dbraw/zinc/07/83/59/193078359.db2.gz GYCXOUKHONEBPE-ZDUSSCGKSA-N 2 2 314.364 2.432 50 0 DEAALP Cn1cc[nH+]c1C1CCN(C(=O)C[NH+]2CCCCCCC2)CC1 ZINC000091873039 193120813 /nfs/dbraw/zinc/12/08/13/193120813.db2.gz BWEWVFXEHYFGAU-UHFFFAOYSA-N 2 2 318.465 2.392 50 0 DEAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000019371574 182120137 /nfs/dbraw/zinc/12/01/37/182120137.db2.gz XLADGMJAOJTUKK-IRXDYDNUSA-N 2 2 306.450 2.117 50 0 DEAALP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000019371574 182120140 /nfs/dbraw/zinc/12/01/40/182120140.db2.gz XLADGMJAOJTUKK-IRXDYDNUSA-N 2 2 306.450 2.117 50 0 DEAALP Brc1cc(C[NH2+]CCn2cc[nH+]c2)cc2c1OCO2 ZINC000041063317 183161159 /nfs/dbraw/zinc/16/11/59/183161159.db2.gz HFAVQPGSVPZOPE-UHFFFAOYSA-N 2 2 324.178 2.164 50 0 DEAALP CC(=O)NC1CC[NH+](CC2=CCC[N@@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000065394589 184334634 /nfs/dbraw/zinc/33/46/34/184334634.db2.gz URXOSSAYPFNGHO-IBGZPJMESA-N 2 2 317.477 2.328 50 0 DEAALP CC(=O)NC1CC[NH+](CC2=CCC[N@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000065394589 184334637 /nfs/dbraw/zinc/33/46/37/184334637.db2.gz URXOSSAYPFNGHO-IBGZPJMESA-N 2 2 317.477 2.328 50 0 DEAALP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(OC)c1OC ZINC000020540887 401824738 /nfs/dbraw/zinc/82/47/38/401824738.db2.gz HNGUQNMFPRUZTD-CQSZACIVSA-N 2 2 322.449 2.486 50 0 DEAALP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(OC)c1OC ZINC000020540887 401824739 /nfs/dbraw/zinc/82/47/39/401824739.db2.gz HNGUQNMFPRUZTD-CQSZACIVSA-N 2 2 322.449 2.486 50 0 DEAALP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(OC)c1OC ZINC000020540887 401824740 /nfs/dbraw/zinc/82/47/40/401824740.db2.gz HNGUQNMFPRUZTD-CQSZACIVSA-N 2 2 322.449 2.486 50 0 DEAALP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(OC)c1OC ZINC000020540887 401824741 /nfs/dbraw/zinc/82/47/41/401824741.db2.gz HNGUQNMFPRUZTD-CQSZACIVSA-N 2 2 322.449 2.486 50 0 DEAALP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000035392728 401899162 /nfs/dbraw/zinc/89/91/62/401899162.db2.gz DSJSNJOHAOUPTL-GJZGRUSLSA-N 2 2 319.449 2.486 50 0 DEAALP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000035392728 401899163 /nfs/dbraw/zinc/89/91/63/401899163.db2.gz DSJSNJOHAOUPTL-GJZGRUSLSA-N 2 2 319.449 2.486 50 0 DEAALP Cc1cc(CN2CC[NH+](CCCCn3cc[nH+]c3C)CC2)on1 ZINC000089608665 401954401 /nfs/dbraw/zinc/95/44/01/401954401.db2.gz MWTRUOHCTSVHEK-UHFFFAOYSA-N 2 2 317.437 2.086 50 0 DEAALP O[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCOC1 ZINC000090850327 401988143 /nfs/dbraw/zinc/98/81/43/401988143.db2.gz GWLNDUKJARUBBJ-QGZVFWFLSA-N 2 2 324.852 2.045 50 0 DEAALP COc1cc[nH+]c(CN2CCN(c3cc[nH+]cc3Cl)CC2)c1 ZINC000095980418 402041610 /nfs/dbraw/zinc/04/16/10/402041610.db2.gz FFMGNRGPLUSGFD-UHFFFAOYSA-N 2 2 318.808 2.461 50 0 DEAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(F)cc1F ZINC000095983987 402042140 /nfs/dbraw/zinc/04/21/40/402042140.db2.gz QCCCCMDUEHAMKE-UHFFFAOYSA-N 2 2 311.420 2.423 50 0 DEAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(F)cc1F ZINC000095983987 402042144 /nfs/dbraw/zinc/04/21/44/402042144.db2.gz QCCCCMDUEHAMKE-UHFFFAOYSA-N 2 2 311.420 2.423 50 0 DEAALP CN(CC[N@H+](C)Cc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000095983987 402042147 /nfs/dbraw/zinc/04/21/47/402042147.db2.gz QCCCCMDUEHAMKE-UHFFFAOYSA-N 2 2 311.420 2.423 50 0 DEAALP CN(CC[N@@H+](C)Cc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000095983987 402042149 /nfs/dbraw/zinc/04/21/49/402042149.db2.gz QCCCCMDUEHAMKE-UHFFFAOYSA-N 2 2 311.420 2.423 50 0 DEAALP CCCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CCC[NH2+]CC1 ZINC000055383210 402081407 /nfs/dbraw/zinc/08/14/07/402081407.db2.gz ONOWSHUTPHVAPJ-AWEZNQCLSA-N 2 2 314.433 2.372 50 0 DEAALP C[NH+]1CCN(c2cc(-c3ccc4ncccc4c3)[nH+]c(N)n2)CC1 ZINC000097522047 402127082 /nfs/dbraw/zinc/12/70/82/402127082.db2.gz JDMYVWMFILDWQV-UHFFFAOYSA-N 2 2 320.400 2.026 50 0 DEAALP Cc1ccc(CCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)s1 ZINC000218978849 402297386 /nfs/dbraw/zinc/29/73/86/402297386.db2.gz MOYMAKDKTVQQDM-UHFFFAOYSA-N 2 2 303.435 2.288 50 0 DEAALP C[N@@H+](CC(=O)Nc1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1(C)C ZINC000244866718 402450086 /nfs/dbraw/zinc/45/00/86/402450086.db2.gz WBDSCEWIWKBRDX-ZDUSSCGKSA-N 2 2 307.413 2.426 50 0 DEAALP C[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1(C)C ZINC000244866718 402450088 /nfs/dbraw/zinc/45/00/88/402450088.db2.gz WBDSCEWIWKBRDX-ZDUSSCGKSA-N 2 2 307.413 2.426 50 0 DEAALP C[NH+](CC(=O)Nc1ccc(F)cc1)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000244866718 402450089 /nfs/dbraw/zinc/45/00/89/402450089.db2.gz WBDSCEWIWKBRDX-ZDUSSCGKSA-N 2 2 307.413 2.426 50 0 DEAALP C[NH+](CC(=O)Nc1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000244866718 402450091 /nfs/dbraw/zinc/45/00/91/402450091.db2.gz WBDSCEWIWKBRDX-ZDUSSCGKSA-N 2 2 307.413 2.426 50 0 DEAALP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nnc(-c4cccnc4)o3)C2)[nH]1 ZINC000244718819 402448641 /nfs/dbraw/zinc/44/86/41/402448641.db2.gz LRHKQRZQFZIEDM-CYBMUJFWSA-N 2 2 310.361 2.234 50 0 DEAALP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nnc(-c4cccnc4)o3)C2)[nH]1 ZINC000244718819 402448643 /nfs/dbraw/zinc/44/86/43/402448643.db2.gz LRHKQRZQFZIEDM-CYBMUJFWSA-N 2 2 310.361 2.234 50 0 DEAALP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C)s2)C[C@H]1C ZINC000247988259 402580205 /nfs/dbraw/zinc/58/02/05/402580205.db2.gz ZSJRLANZGISHGH-UKRRQHHQSA-N 2 2 323.506 2.477 50 0 DEAALP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C)s2)C[C@H]1C ZINC000247988259 402580207 /nfs/dbraw/zinc/58/02/07/402580207.db2.gz ZSJRLANZGISHGH-UKRRQHHQSA-N 2 2 323.506 2.477 50 0 DEAALP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C)s2)C[C@H]1C ZINC000247988259 402580208 /nfs/dbraw/zinc/58/02/08/402580208.db2.gz ZSJRLANZGISHGH-UKRRQHHQSA-N 2 2 323.506 2.477 50 0 DEAALP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C)s2)C[C@H]1C ZINC000247988259 402580210 /nfs/dbraw/zinc/58/02/10/402580210.db2.gz ZSJRLANZGISHGH-UKRRQHHQSA-N 2 2 323.506 2.477 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)c2ccc(C)cc2OCCC[NH3+])[nH+]1 ZINC000299765855 403569204 /nfs/dbraw/zinc/56/92/04/403569204.db2.gz CHBHTJDXMOTIMD-UHFFFAOYSA-N 2 2 316.405 2.026 50 0 DEAALP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NC1CCC(C)CC1 ZINC000089922637 287038277 /nfs/dbraw/zinc/03/82/77/287038277.db2.gz SGOLMYORLCTRJY-LVDPKSTMSA-N 2 2 318.465 2.434 50 0 DEAALP O=C(CC[N@@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1)Nc1cccc(F)c1 ZINC000585116372 789703466 /nfs/dbraw/zinc/70/34/66/789703466.db2.gz SDPDVKITBMZSKG-GFCCVEGCSA-N 2 2 302.353 2.367 50 0 DEAALP O=C(CC[N@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1)Nc1cccc(F)c1 ZINC000585116372 789703474 /nfs/dbraw/zinc/70/34/74/789703474.db2.gz SDPDVKITBMZSKG-GFCCVEGCSA-N 2 2 302.353 2.367 50 0 DEAALP CC1(C)C[NH2+][C@@H]1C1CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000952877353 792793525 /nfs/dbraw/zinc/79/35/25/792793525.db2.gz OMINBPJPCQPPCP-QGZVFWFLSA-N 2 2 317.481 2.215 50 0 DEAALP Cc1ccc2cc(C[NH2+][C@H](C)[C@H]3C[N@H+](C)CCN3C)ccc2n1 ZINC000952882960 792797371 /nfs/dbraw/zinc/79/73/71/792797371.db2.gz LRISPSWSUZYSDG-DNVCBOLYSA-N 2 2 312.461 2.267 50 0 DEAALP Cc1ccc2cc(C[NH2+][C@H](C)[C@H]3C[N@@H+](C)CCN3C)ccc2n1 ZINC000952882960 792797377 /nfs/dbraw/zinc/79/73/77/792797377.db2.gz LRISPSWSUZYSDG-DNVCBOLYSA-N 2 2 312.461 2.267 50 0 DEAALP Cc1c[nH+]ccc1NCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC001529198869 1070912130 /nfs/dbraw/zinc/91/21/30/1070912130.db2.gz MTCAVROLPMIJTQ-UHFFFAOYSA-N 2 2 312.421 2.116 50 0 DEAALP Cc1c[nH+]ccc1NCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC001529198869 1070912138 /nfs/dbraw/zinc/91/21/38/1070912138.db2.gz MTCAVROLPMIJTQ-UHFFFAOYSA-N 2 2 312.421 2.116 50 0 DEAALP CC[N@H+](C)C[C@H](C)[NH2+]CCc1nc(C)cc(C(F)(F)F)n1 ZINC001506420695 1061963866 /nfs/dbraw/zinc/96/38/66/1061963866.db2.gz AKTFZLQSLWONPC-NSHDSACASA-N 2 2 304.360 2.276 50 0 DEAALP CC[N@@H+](C)C[C@H](C)[NH2+]CCc1nc(C)cc(C(F)(F)F)n1 ZINC001506420695 1061963886 /nfs/dbraw/zinc/96/38/86/1061963886.db2.gz AKTFZLQSLWONPC-NSHDSACASA-N 2 2 304.360 2.276 50 0 DEAALP Cn1nccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000095420175 185360067 /nfs/dbraw/zinc/36/00/67/185360067.db2.gz YNRIVTRGERQVIW-UHFFFAOYSA-N 2 2 316.424 2.356 50 0 DEAALP CSc1ncc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)cn1 ZINC000072151974 191056955 /nfs/dbraw/zinc/05/69/55/191056955.db2.gz VVIJDIBVUZTOAP-ZDUSSCGKSA-N 2 2 303.435 2.307 50 0 DEAALP CSc1ncc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)cn1 ZINC000072151974 191056958 /nfs/dbraw/zinc/05/69/58/191056958.db2.gz VVIJDIBVUZTOAP-ZDUSSCGKSA-N 2 2 303.435 2.307 50 0 DEAALP CCC[NH+]1CCN(C(=[NH2+])C[C@@H]2COc3ccccc3O2)CC1 ZINC000096027856 355698164 /nfs/dbraw/zinc/69/81/64/355698164.db2.gz QNBDFKBGKGMAOP-CQSZACIVSA-N 2 2 303.406 2.221 50 0 DEAALP c1coc(C[NH+]2CCC([NH2+]CCc3nc(C4CC4)no3)CC2)c1 ZINC000670459534 540936857 /nfs/dbraw/zinc/93/68/57/540936857.db2.gz CQDHDALMVFSREF-UHFFFAOYSA-N 2 2 316.405 2.337 50 0 DEAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000022921016 182341552 /nfs/dbraw/zinc/34/15/52/182341552.db2.gz XBKYGHLSVYDCGL-ZWKOTPCHSA-N 2 2 320.477 2.425 50 0 DEAALP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000022921016 182341555 /nfs/dbraw/zinc/34/15/55/182341555.db2.gz XBKYGHLSVYDCGL-ZWKOTPCHSA-N 2 2 320.477 2.425 50 0 DEAALP c1cn(CCCNc2ncnc3sc4c(c32)CC[NH2+]C4)c[nH+]1 ZINC000065494991 184355119 /nfs/dbraw/zinc/35/51/19/184355119.db2.gz KRMHSNOSVILZSO-UHFFFAOYSA-N 2 2 314.418 2.036 50 0 DEAALP Cn1ncc2c1nc[nH+]c2NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014161000 401808391 /nfs/dbraw/zinc/80/83/91/401808391.db2.gz LEDTZPJIZGSSLU-UHFFFAOYSA-N 2 2 322.416 2.440 50 0 DEAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2csc(C)n2)nc[nH+]1 ZINC000075132725 401750784 /nfs/dbraw/zinc/75/07/84/401750784.db2.gz NJDFDCJPIIBKMM-CYBMUJFWSA-N 2 2 318.450 2.042 50 0 DEAALP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C ZINC000075145340 401752320 /nfs/dbraw/zinc/75/23/20/401752320.db2.gz ZSJRLANZGISHGH-ZFWWWQNUSA-N 2 2 323.506 2.477 50 0 DEAALP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C ZINC000075145340 401752321 /nfs/dbraw/zinc/75/23/21/401752321.db2.gz ZSJRLANZGISHGH-ZFWWWQNUSA-N 2 2 323.506 2.477 50 0 DEAALP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C ZINC000075145340 401752322 /nfs/dbraw/zinc/75/23/22/401752322.db2.gz ZSJRLANZGISHGH-ZFWWWQNUSA-N 2 2 323.506 2.477 50 0 DEAALP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C ZINC000075145340 401752324 /nfs/dbraw/zinc/75/23/24/401752324.db2.gz ZSJRLANZGISHGH-ZFWWWQNUSA-N 2 2 323.506 2.477 50 0 DEAALP C[NH+]1CCC(OCCCn2cc[nH+]c2-c2ccncc2)CC1 ZINC000077322907 401810429 /nfs/dbraw/zinc/81/04/29/401810429.db2.gz DKUQAAZOFYQYSI-UHFFFAOYSA-N 2 2 300.406 2.446 50 0 DEAALP O=C1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)CN1Cc1cccc2ccccc21 ZINC000012315099 401783306 /nfs/dbraw/zinc/78/33/06/401783306.db2.gz UDXTVQAQVVURGK-INIZCTEOSA-N 2 2 320.396 2.454 50 0 DEAALP CC1(C)C[C@H]([NH2+]CC[NH2+]Cc2ccc3c(c2)OCO3)CCO1 ZINC000032123839 401876557 /nfs/dbraw/zinc/87/65/57/401876557.db2.gz PIAIRWUOQZBEBC-CQSZACIVSA-N 2 2 306.406 2.052 50 0 biogenic DEAALP Cc1cccc([C@@H](C(=O)N2CC([NH+]3CCCCC3)C2)[NH+](C)C)c1 ZINC000091519045 401996320 /nfs/dbraw/zinc/99/63/20/401996320.db2.gz RKRYSTAAFLXXDE-SFHVURJKSA-N 2 2 315.461 2.294 50 0 DEAALP O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCc2[nH+]c[nH]c2C1 ZINC000095369672 402028955 /nfs/dbraw/zinc/02/89/55/402028955.db2.gz GSGCCQRAHGUMMW-LLVKDONJSA-N 2 2 302.403 2.094 50 0 DEAALP O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCc2[nH]c[nH+]c2C1 ZINC000095369672 402028959 /nfs/dbraw/zinc/02/89/59/402028959.db2.gz GSGCCQRAHGUMMW-LLVKDONJSA-N 2 2 302.403 2.094 50 0 DEAALP C[NH+](C)[C@@H](C(=O)NCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC000095374648 402029540 /nfs/dbraw/zinc/02/95/40/402029540.db2.gz VTBBPXQUYYCSIB-MRXNPFEDSA-N 2 2 307.413 2.031 50 0 DEAALP CCCc1nc(N2CCC(O)(C[NH+]3CCCC3)CC2)cc(C)[nH+]1 ZINC000065371864 402123891 /nfs/dbraw/zinc/12/38/91/402123891.db2.gz LNOMBBVMJMRSKO-UHFFFAOYSA-N 2 2 318.465 2.165 50 0 DEAALP CN(C)c1cc(N2CCC[C@@H](C[NH+]3CCCCC3)C2)nc[nH+]1 ZINC000065393447 402123971 /nfs/dbraw/zinc/12/39/71/402123971.db2.gz XURNRAONJQDPLV-HNNXBMFYSA-N 2 2 303.454 2.245 50 0 DEAALP CN(C)c1cc(N2CCC[C@@H](C[NH+]3CCCCC3)C2)[nH+]cn1 ZINC000065393447 402123974 /nfs/dbraw/zinc/12/39/74/402123974.db2.gz XURNRAONJQDPLV-HNNXBMFYSA-N 2 2 303.454 2.245 50 0 DEAALP CN(C)c1cc(N2CCC[C@H](C[NH+]3CCCCC3)C2)nc[nH+]1 ZINC000065393446 402124242 /nfs/dbraw/zinc/12/42/42/402124242.db2.gz XURNRAONJQDPLV-OAHLLOKOSA-N 2 2 303.454 2.245 50 0 DEAALP CN(C)c1cc(N2CCC[C@H](C[NH+]3CCCCC3)C2)[nH+]cn1 ZINC000065393446 402124243 /nfs/dbraw/zinc/12/42/43/402124243.db2.gz XURNRAONJQDPLV-OAHLLOKOSA-N 2 2 303.454 2.245 50 0 DEAALP C[N@H+](CC(=O)Nc1c[nH+]c2n1CCCC2)Cc1ccc(F)cc1 ZINC000067473240 402160637 /nfs/dbraw/zinc/16/06/37/402160637.db2.gz XTVKNZAWOFJQHD-UHFFFAOYSA-N 2 2 316.380 2.429 50 0 DEAALP C[N@@H+](CC(=O)Nc1c[nH+]c2n1CCCC2)Cc1ccc(F)cc1 ZINC000067473240 402160640 /nfs/dbraw/zinc/16/06/40/402160640.db2.gz XTVKNZAWOFJQHD-UHFFFAOYSA-N 2 2 316.380 2.429 50 0 DEAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069917652 402250345 /nfs/dbraw/zinc/25/03/45/402250345.db2.gz PTSOEDDFLMUQGD-HNNXBMFYSA-N 2 2 323.400 2.405 50 0 DEAALP Cn1cc[nH+]c1CN1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000215028990 402280924 /nfs/dbraw/zinc/28/09/24/402280924.db2.gz DVGTVGXMKWJUNV-UHFFFAOYSA-N 2 2 310.401 2.484 50 0 DEAALP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)[nH+]1 ZINC000222204065 402306464 /nfs/dbraw/zinc/30/64/64/402306464.db2.gz CLQNDHVYZSGOKI-CRAIPNDOSA-N 2 2 324.428 2.350 50 0 DEAALP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)[nH+]1 ZINC000222204065 402306468 /nfs/dbraw/zinc/30/64/68/402306468.db2.gz CLQNDHVYZSGOKI-CRAIPNDOSA-N 2 2 324.428 2.350 50 0 DEAALP C[N@H+]1C[C@@H]2C[NH+](Cc3ccnn3-c3ccc(F)cc3)C[C@@H]2C1 ZINC000242106311 402444752 /nfs/dbraw/zinc/44/47/52/402444752.db2.gz WIPWTRJTDRNCQO-OKILXGFUSA-N 2 2 300.381 2.005 50 0 DEAALP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccnn3-c3ccc(F)cc3)C[C@@H]2C1 ZINC000242106311 402444755 /nfs/dbraw/zinc/44/47/55/402444755.db2.gz WIPWTRJTDRNCQO-OKILXGFUSA-N 2 2 300.381 2.005 50 0 DEAALP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccnn3-c3ccc(F)cc3)C[C@@H]2C1 ZINC000242106311 402444758 /nfs/dbraw/zinc/44/47/58/402444758.db2.gz WIPWTRJTDRNCQO-OKILXGFUSA-N 2 2 300.381 2.005 50 0 DEAALP C[NH+]1C[C@@H]2C[N@H+](Cc3ccnn3-c3ccc(F)cc3)C[C@@H]2C1 ZINC000242106311 402444759 /nfs/dbraw/zinc/44/47/59/402444759.db2.gz WIPWTRJTDRNCQO-OKILXGFUSA-N 2 2 300.381 2.005 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000252505862 402657371 /nfs/dbraw/zinc/65/73/71/402657371.db2.gz ODVKQSCLMABVCF-VGWMRTNUSA-N 2 2 307.482 2.096 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000252505862 402657373 /nfs/dbraw/zinc/65/73/73/402657373.db2.gz ODVKQSCLMABVCF-VGWMRTNUSA-N 2 2 307.482 2.096 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000252505862 402657375 /nfs/dbraw/zinc/65/73/75/402657375.db2.gz ODVKQSCLMABVCF-VGWMRTNUSA-N 2 2 307.482 2.096 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000252505862 402657377 /nfs/dbraw/zinc/65/73/77/402657377.db2.gz ODVKQSCLMABVCF-VGWMRTNUSA-N 2 2 307.482 2.096 50 0 DEAALP CCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000195543791 402850900 /nfs/dbraw/zinc/85/09/00/402850900.db2.gz QVCXPZIJHXGQSC-WMLDXEAASA-N 2 2 319.449 2.028 50 0 DEAALP Cc1cccc(CCSc2nnc([C@@H]3CCC[NH2+]C3)n2C)[nH+]1 ZINC000426479672 405363160 /nfs/dbraw/zinc/36/31/60/405363160.db2.gz HMGVBHPQJRGNSC-CYBMUJFWSA-N 2 2 317.462 2.320 50 0 DEAALP C[C@@H]1CN(c2nc(N3CCCC3)[nH+]c3ccccc32)C[C@H](C)[NH2+]1 ZINC000004727691 274367403 /nfs/dbraw/zinc/36/74/03/274367403.db2.gz JRUDQZFHFOWAFQ-OKILXGFUSA-N 2 2 311.433 2.417 50 0 DEAALP CC(C)[C@@H](NC(=O)c1ccc(C[NH+](C)C)o1)c1[nH+]ccn1C ZINC000534674540 334321683 /nfs/dbraw/zinc/32/16/83/334321683.db2.gz ZMFYQNAJNFATBQ-CQSZACIVSA-N 2 2 304.394 2.202 50 0 DEAALP CC(C)(C[NH+]1CCCC1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000426538390 527078576 /nfs/dbraw/zinc/07/85/76/527078576.db2.gz ORNBRCHOYBAKHN-CQSZACIVSA-N 2 2 319.453 2.173 50 0 DEAALP Cc1ccc2cc(C[NH2+][C@@H](C)[C@H]3C[N@H+](C)CCN3C)ccc2n1 ZINC000952882961 792797594 /nfs/dbraw/zinc/79/75/94/792797594.db2.gz LRISPSWSUZYSDG-HNAYVOBHSA-N 2 2 312.461 2.267 50 0 DEAALP Cc1ccc2cc(C[NH2+][C@@H](C)[C@H]3C[N@@H+](C)CCN3C)ccc2n1 ZINC000952882961 792797601 /nfs/dbraw/zinc/79/76/01/792797601.db2.gz LRISPSWSUZYSDG-HNAYVOBHSA-N 2 2 312.461 2.267 50 0 DEAALP CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)C1(C)C ZINC000404706055 802028274 /nfs/dbraw/zinc/02/82/74/802028274.db2.gz JFUSNEPREFQXDB-STQMWFEESA-N 2 2 308.426 2.165 50 0 DEAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]C1CC[NH+](CCSC)CC1 ZINC001506398903 1061940694 /nfs/dbraw/zinc/94/06/94/1061940694.db2.gz HPRMQKIPYMDUAX-AWEZNQCLSA-N 3 2 310.511 2.251 50 0 DEAALP Cc1[nH+]ccn1C[C@H](C)[N@@H+]1CCN(C2CCCCC2)C(=O)C1 ZINC000821751105 1090609841 /nfs/dbraw/zinc/60/98/41/1090609841.db2.gz GBINMIIUHJWFHZ-AWEZNQCLSA-N 2 2 304.438 2.057 50 0 DEAALP Cc1[nH+]ccn1C[C@H](C)[N@H+]1CCN(C2CCCCC2)C(=O)C1 ZINC000821751105 1090609845 /nfs/dbraw/zinc/60/98/45/1090609845.db2.gz GBINMIIUHJWFHZ-AWEZNQCLSA-N 2 2 304.438 2.057 50 0 DEAALP CC/C(C)=C/CC[NH+]1CCC(c2[nH+]ccn2CC(N)=O)CC1 ZINC000095529000 185378439 /nfs/dbraw/zinc/37/84/39/185378439.db2.gz SRZMUDVANDYDQA-LHHJGKSTSA-N 2 2 304.438 2.294 50 0 DEAALP CC[NH+](CC)CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000143035039 186033687 /nfs/dbraw/zinc/03/36/87/186033687.db2.gz LOOSRKSGKTWFHP-AWEZNQCLSA-N 2 2 300.406 2.391 50 0 DEAALP O[C@@]1(C[N@H+](Cc2ccsc2)Cc2cccnc2)CCC[NH2+]C1 ZINC000072472813 191174963 /nfs/dbraw/zinc/17/49/63/191174963.db2.gz KHBORCMDYZIKPA-KRWDZBQOSA-N 2 2 317.458 2.260 50 0 DEAALP O[C@@]1(C[N@@H+](Cc2ccsc2)Cc2cccnc2)CCC[NH2+]C1 ZINC000072472813 191174966 /nfs/dbraw/zinc/17/49/66/191174966.db2.gz KHBORCMDYZIKPA-KRWDZBQOSA-N 2 2 317.458 2.260 50 0 DEAALP O[C@]1(C[N@H+](Cc2ccsc2)Cc2cccnc2)CCC[NH2+]C1 ZINC000072472814 191176426 /nfs/dbraw/zinc/17/64/26/191176426.db2.gz KHBORCMDYZIKPA-QGZVFWFLSA-N 2 2 317.458 2.260 50 0 DEAALP O[C@]1(C[N@@H+](Cc2ccsc2)Cc2cccnc2)CCC[NH2+]C1 ZINC000072472814 191176429 /nfs/dbraw/zinc/17/64/29/191176429.db2.gz KHBORCMDYZIKPA-QGZVFWFLSA-N 2 2 317.458 2.260 50 0 DEAALP CC(C)[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072473784 191177616 /nfs/dbraw/zinc/17/76/16/191177616.db2.gz WFCRSCVWSDLMOI-HNNXBMFYSA-N 2 2 305.470 2.389 50 0 DEAALP CC(C)[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072473784 191177619 /nfs/dbraw/zinc/17/76/19/191177619.db2.gz WFCRSCVWSDLMOI-HNNXBMFYSA-N 2 2 305.470 2.389 50 0 DEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000192186358 356220317 /nfs/dbraw/zinc/22/03/17/356220317.db2.gz KYMGIPGVMZLNHN-SFHVURJKSA-N 2 2 312.417 2.411 50 0 DEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000192186358 356220321 /nfs/dbraw/zinc/22/03/21/356220321.db2.gz KYMGIPGVMZLNHN-SFHVURJKSA-N 2 2 312.417 2.411 50 0 DEAALP CC(C)c1ccccc1OC[C@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000005862979 181291107 /nfs/dbraw/zinc/29/11/07/181291107.db2.gz TXQYAUAFXZOSLW-MRXNPFEDSA-N 2 2 317.433 2.426 50 0 DEAALP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000237547474 202277233 /nfs/dbraw/zinc/27/72/33/202277233.db2.gz RRSKRWJWRJRGCQ-MAUKXSAKSA-N 2 2 311.429 2.151 50 0 DEAALP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000237547474 202277237 /nfs/dbraw/zinc/27/72/37/202277237.db2.gz RRSKRWJWRJRGCQ-MAUKXSAKSA-N 2 2 311.429 2.151 50 0 DEAALP CCOC(=O)N1CCC([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000670453114 540935468 /nfs/dbraw/zinc/93/54/68/540935468.db2.gz JEHBCEJNXLMZSG-ZDUSSCGKSA-N 2 2 306.410 2.210 50 0 DEAALP CCOC(=O)N1CCC([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000670453114 540935471 /nfs/dbraw/zinc/93/54/71/540935471.db2.gz JEHBCEJNXLMZSG-ZDUSSCGKSA-N 2 2 306.410 2.210 50 0 DEAALP CN(Cc1[nH+]ccn1C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000019952517 182169465 /nfs/dbraw/zinc/16/94/65/182169465.db2.gz YOCGGXLGQOIZPZ-GOSISDBHSA-N 2 2 324.472 2.484 50 0 DEAALP CN(Cc1[nH+]ccn1C)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000019952517 182169467 /nfs/dbraw/zinc/16/94/67/182169467.db2.gz YOCGGXLGQOIZPZ-GOSISDBHSA-N 2 2 324.472 2.484 50 0 DEAALP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CC)c1 ZINC000022038710 182305240 /nfs/dbraw/zinc/30/52/40/182305240.db2.gz QVEYJYLYMHELRN-SJORKVTESA-N 2 2 306.450 2.063 50 0 DEAALP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CC)c1 ZINC000022038710 182305244 /nfs/dbraw/zinc/30/52/44/182305244.db2.gz QVEYJYLYMHELRN-SJORKVTESA-N 2 2 306.450 2.063 50 0 DEAALP OCC[NH2+]CC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000023263514 182354526 /nfs/dbraw/zinc/35/45/26/182354526.db2.gz QTYLDSBXZVEWQC-UHFFFAOYSA-N 2 2 318.392 2.076 50 0 DEAALP Cc1ccc([C@@H](C)NC(=O)C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000065371117 184329857 /nfs/dbraw/zinc/32/98/57/184329857.db2.gz YWOPWHOFAKADJR-OAHLLOKOSA-N 2 2 300.406 2.049 50 0 DEAALP O=C(CC[NH2+]CCCn1cc[nH+]c1)NC1CCCCCCC1 ZINC000065433286 184344312 /nfs/dbraw/zinc/34/43/12/184344312.db2.gz ONNVUHJIOYVGIU-UHFFFAOYSA-N 2 2 306.454 2.482 50 0 DEAALP CCCc1[nH+]ccn1-c1ccc([C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000065457068 184347705 /nfs/dbraw/zinc/34/77/05/184347705.db2.gz HYVINKCDMGGYNV-KRWDZBQOSA-N 2 2 315.417 2.190 50 0 DEAALP COc1cccc([C@@H]2CC[N@H+](Cc3c[nH+]c(C)[nH]3)C[C@H]2O)c1 ZINC000065531409 184361093 /nfs/dbraw/zinc/36/10/93/184361093.db2.gz OUULAKMXFGBNGV-DLBZAZTESA-N 2 2 301.390 2.077 50 0 DEAALP COc1cccc([C@@H]2CC[N@@H+](Cc3c[nH+]c(C)[nH]3)C[C@H]2O)c1 ZINC000065531409 184361094 /nfs/dbraw/zinc/36/10/94/184361094.db2.gz OUULAKMXFGBNGV-DLBZAZTESA-N 2 2 301.390 2.077 50 0 DEAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000072255118 401704126 /nfs/dbraw/zinc/70/41/26/401704126.db2.gz PYOZJMPLVYQFRS-FUHWJXTLSA-N 2 2 324.428 2.151 50 0 DEAALP Cc1nc(C)c(C[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)s1 ZINC000079497603 401874400 /nfs/dbraw/zinc/87/44/00/401874400.db2.gz IOGHRRBNDUAORS-SNVBAGLBSA-N 2 2 310.492 2.369 50 0 DEAALP CCCn1cc[nH+]c1CNC(=O)[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000095383347 402031278 /nfs/dbraw/zinc/03/12/78/402031278.db2.gz VLLFQPQZNKDBPR-MRXNPFEDSA-N 2 2 318.396 2.351 50 0 DEAALP C[NH+](C)[C@H](C(=O)NCC(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC000095387966 402031799 /nfs/dbraw/zinc/03/17/99/402031799.db2.gz MGZDASJQVNGQNK-INIZCTEOSA-N 2 2 321.440 2.419 50 0 DEAALP CCC[NH+]1CCC(N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000096424672 402083928 /nfs/dbraw/zinc/08/39/28/402083928.db2.gz XQMDLSFROOWBTH-UHFFFAOYSA-N 2 2 302.466 2.074 50 0 DEAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000067878509 402177365 /nfs/dbraw/zinc/17/73/65/402177365.db2.gz WNBPIDRKAWNFFW-OAHLLOKOSA-N 2 2 312.417 2.297 50 0 DEAALP CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069530365 402229229 /nfs/dbraw/zinc/22/92/29/402229229.db2.gz USFWVMWGEAZAII-MRXNPFEDSA-N 2 2 312.417 2.220 50 0 DEAALP CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069530365 402229232 /nfs/dbraw/zinc/22/92/32/402229232.db2.gz USFWVMWGEAZAII-MRXNPFEDSA-N 2 2 312.417 2.220 50 0 DEAALP C[NH+](C)[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000069706784 402240487 /nfs/dbraw/zinc/24/04/87/402240487.db2.gz BYCYVZSPWNBQQY-IRXDYDNUSA-N 2 2 312.417 2.350 50 0 DEAALP CCCCOc1ccc(C[N@@H+]2CCN3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000215723317 402285017 /nfs/dbraw/zinc/28/50/17/402285017.db2.gz ACHYXNPEYMPQRN-GOSISDBHSA-N 2 2 317.477 2.297 50 0 DEAALP CCCCOc1ccc(C[N@H+]2CCN3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000215723317 402285018 /nfs/dbraw/zinc/28/50/18/402285018.db2.gz ACHYXNPEYMPQRN-GOSISDBHSA-N 2 2 317.477 2.297 50 0 DEAALP CCCCOc1ccc(C[NH+]2CCN3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000215723317 402285019 /nfs/dbraw/zinc/28/50/19/402285019.db2.gz ACHYXNPEYMPQRN-GOSISDBHSA-N 2 2 317.477 2.297 50 0 DEAALP CCCCOc1ccc(C[NH+]2CCN3CC[N@@H+](C)C[C@@H]3C2)cc1 ZINC000215723317 402285020 /nfs/dbraw/zinc/28/50/20/402285020.db2.gz ACHYXNPEYMPQRN-GOSISDBHSA-N 2 2 317.477 2.297 50 0 DEAALP Nc1nc(NCc2cnc3ccccc3c2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220740452 402302244 /nfs/dbraw/zinc/30/22/44/402302244.db2.gz RIZPYMYQXHOYHH-UHFFFAOYSA-N 2 2 320.400 2.424 50 0 DEAALP CCN(Cc1[nH+]ccn1C)C(=O)[C@@H](c1ccccc1C)[NH+](C)C ZINC000223114331 402309455 /nfs/dbraw/zinc/30/94/55/402309455.db2.gz VGPZHYCVBJSNFJ-QGZVFWFLSA-N 2 2 314.433 2.380 50 0 DEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000225398583 402316487 /nfs/dbraw/zinc/31/64/87/402316487.db2.gz ROSZULBSKVDSHB-ZBFHGGJFSA-N 2 2 312.417 2.267 50 0 DEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000225398583 402316488 /nfs/dbraw/zinc/31/64/88/402316488.db2.gz ROSZULBSKVDSHB-ZBFHGGJFSA-N 2 2 312.417 2.267 50 0 DEAALP COc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)cc1 ZINC000244884075 402450655 /nfs/dbraw/zinc/45/06/55/402450655.db2.gz YETOIZYYTAWZDD-AWEZNQCLSA-N 2 2 319.449 2.296 50 0 DEAALP COc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)cc1 ZINC000244884075 402450656 /nfs/dbraw/zinc/45/06/56/402450656.db2.gz YETOIZYYTAWZDD-AWEZNQCLSA-N 2 2 319.449 2.296 50 0 DEAALP COc1ccc(NC(=O)C[NH+](C)C[C@@H]2CC[N@H+](C)C2(C)C)cc1 ZINC000244884075 402450657 /nfs/dbraw/zinc/45/06/57/402450657.db2.gz YETOIZYYTAWZDD-AWEZNQCLSA-N 2 2 319.449 2.296 50 0 DEAALP COc1ccc(NC(=O)C[NH+](C)C[C@@H]2CC[N@@H+](C)C2(C)C)cc1 ZINC000244884075 402450658 /nfs/dbraw/zinc/45/06/58/402450658.db2.gz YETOIZYYTAWZDD-AWEZNQCLSA-N 2 2 319.449 2.296 50 0 DEAALP CC1(C)CC(CC(=O)NCCCc2[nH]cc[nH+]2)CC(C)(C)[NH2+]1 ZINC000244882470 402451330 /nfs/dbraw/zinc/45/13/30/402451330.db2.gz XSJQHIHOUCCREO-UHFFFAOYSA-N 2 2 306.454 2.405 50 0 DEAALP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nnc(-c4cccnc4)o3)C2)[nH]1 ZINC000244718820 402448986 /nfs/dbraw/zinc/44/89/86/402448986.db2.gz LRHKQRZQFZIEDM-ZDUSSCGKSA-N 2 2 310.361 2.234 50 0 DEAALP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nnc(-c4cccnc4)o3)C2)[nH]1 ZINC000244718820 402448989 /nfs/dbraw/zinc/44/89/89/402448989.db2.gz LRHKQRZQFZIEDM-ZDUSSCGKSA-N 2 2 310.361 2.234 50 0 DEAALP COc1ccccc1[C@@H](CNc1nc[nH+]c(N)c1Cl)[NH+](C)C ZINC000170593792 402505774 /nfs/dbraw/zinc/50/57/74/402505774.db2.gz BAXVCLLGHHKQCG-LLVKDONJSA-N 2 2 321.812 2.436 50 0 DEAALP C[NH+](C)[C@H](C(=O)NCC[NH+]1CCCCCC1)c1cccc(F)c1 ZINC000095365855 276849816 /nfs/dbraw/zinc/84/98/16/276849816.db2.gz SYBZMWYROFXSNE-KRWDZBQOSA-N 2 2 321.440 2.421 50 0 DEAALP Cn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCCCC[N@@H+]2C)CC1 ZINC000097495418 279373207 /nfs/dbraw/zinc/37/32/07/279373207.db2.gz DJWZTCSASDEBFC-HNNXBMFYSA-N 2 2 304.438 2.001 50 0 DEAALP Cn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCCCC[N@H+]2C)CC1 ZINC000097495418 279373213 /nfs/dbraw/zinc/37/32/13/279373213.db2.gz DJWZTCSASDEBFC-HNNXBMFYSA-N 2 2 304.438 2.001 50 0 DEAALP CCn1c(C)cc2cc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)ccc21 ZINC000952868797 792785565 /nfs/dbraw/zinc/78/55/65/792785565.db2.gz GOSZFHSANVJLSP-HNNXBMFYSA-N 2 2 311.389 2.201 50 0 DEAALP CCc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)o1 ZINC000097015184 185397225 /nfs/dbraw/zinc/39/72/25/185397225.db2.gz ZQNFPKCOXKNGJG-UHFFFAOYSA-N 2 2 314.433 2.279 50 0 DEAALP C[NH2+][C@H]1CCCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000133479817 185988532 /nfs/dbraw/zinc/98/85/32/185988532.db2.gz UIOGLVYFVYQJTK-FSNWXROXSA-N 2 2 310.401 2.096 50 0 DEAALP Cc1cccc(OCC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1C ZINC000072141964 191049088 /nfs/dbraw/zinc/04/90/88/191049088.db2.gz WKJJDRNOVSTWMV-GOSISDBHSA-N 2 2 306.450 2.071 50 0 DEAALP Cc1cccc(OCC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1C ZINC000072141964 191049090 /nfs/dbraw/zinc/04/90/90/191049090.db2.gz WKJJDRNOVSTWMV-GOSISDBHSA-N 2 2 306.450 2.071 50 0 DEAALP COc1cccc(OC2C[NH+](Cc3cccc(CC[NH3+])c3)C2)c1 ZINC000072419291 191156689 /nfs/dbraw/zinc/15/66/89/191156689.db2.gz YGSBBXVGKLJCBM-UHFFFAOYSA-N 2 2 312.413 2.460 50 0 DEAALP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000237427851 202262318 /nfs/dbraw/zinc/26/23/18/202262318.db2.gz GLAHAMKSUKIXJA-HIFRSBDPSA-N 2 2 304.434 2.461 50 0 DEAALP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000237427851 202262320 /nfs/dbraw/zinc/26/23/20/202262320.db2.gz GLAHAMKSUKIXJA-HIFRSBDPSA-N 2 2 304.434 2.461 50 0 DEAALP Cc1[nH]c2c([nH+]1)CC[N@@H+](Cc1cnc(-c3ccccn3)nc1)C2 ZINC000670443535 540934116 /nfs/dbraw/zinc/93/41/16/540934116.db2.gz CHKWLTFVHHUELG-UHFFFAOYSA-N 2 2 306.373 2.128 50 0 DEAALP Cc1[nH]c2c([nH+]1)CC[N@H+](Cc1cnc(-c3ccccn3)nc1)C2 ZINC000670443535 540934119 /nfs/dbraw/zinc/93/41/19/540934119.db2.gz CHKWLTFVHHUELG-UHFFFAOYSA-N 2 2 306.373 2.128 50 0 DEAALP CCCCc1[nH]c(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)c[nH+]1 ZINC000020917998 182253836 /nfs/dbraw/zinc/25/38/36/182253836.db2.gz YYHOEQATSCHPMU-INIZCTEOSA-N 2 2 308.470 2.029 50 0 DEAALP CCCCc1[nH]c(CN2CC[N@@H+](C(C)C)[C@@H](CCO)C2)c[nH+]1 ZINC000020917998 182253837 /nfs/dbraw/zinc/25/38/37/182253837.db2.gz YYHOEQATSCHPMU-INIZCTEOSA-N 2 2 308.470 2.029 50 0 DEAALP CCCCc1[nH]cc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)[nH+]1 ZINC000020917998 182253839 /nfs/dbraw/zinc/25/38/39/182253839.db2.gz YYHOEQATSCHPMU-INIZCTEOSA-N 2 2 308.470 2.029 50 0 DEAALP CCCCc1[nH]cc(CN2CC[N@@H+](C(C)C)[C@@H](CCO)C2)[nH+]1 ZINC000020917998 182253841 /nfs/dbraw/zinc/25/38/41/182253841.db2.gz YYHOEQATSCHPMU-INIZCTEOSA-N 2 2 308.470 2.029 50 0 DEAALP CC[C@@H](c1cccnc1)[N@H+](C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000023159315 182352319 /nfs/dbraw/zinc/35/23/19/182352319.db2.gz CUXJBKVILKOFGB-KRWDZBQOSA-N 2 2 314.437 2.181 50 0 DEAALP CC[C@@H](c1cccnc1)[N@@H+](C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000023159315 182352320 /nfs/dbraw/zinc/35/23/20/182352320.db2.gz CUXJBKVILKOFGB-KRWDZBQOSA-N 2 2 314.437 2.181 50 0 DEAALP COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000030909696 401867027 /nfs/dbraw/zinc/86/70/27/401867027.db2.gz NRSCLEIIMBNDCL-GFCCVEGCSA-N 2 2 305.378 2.087 50 0 DEAALP CN(Cc1[nH]cc[nH+]1)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095374576 402029911 /nfs/dbraw/zinc/02/99/11/402029911.db2.gz VHSRMRKLEIOLTM-UHFFFAOYSA-N 2 2 304.438 2.413 50 0 DEAALP COc1ccc(-c2n[nH]cc2C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000053945966 402060682 /nfs/dbraw/zinc/06/06/82/402060682.db2.gz CYZQNMHMIUOPES-UHFFFAOYSA-N 2 2 300.406 2.271 50 0 DEAALP COc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CC[C@H]3C[NH2+]C4)cn2)cc1 ZINC000097698772 402130516 /nfs/dbraw/zinc/13/05/16/402130516.db2.gz CQEWHKVXZCFRPB-PBHICJAKSA-N 2 2 324.428 2.336 50 0 DEAALP COc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[C@H]3C[NH2+]C4)cn2)cc1 ZINC000097698772 402130517 /nfs/dbraw/zinc/13/05/17/402130517.db2.gz CQEWHKVXZCFRPB-PBHICJAKSA-N 2 2 324.428 2.336 50 0 DEAALP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)CC1 ZINC000097743150 402131997 /nfs/dbraw/zinc/13/19/97/402131997.db2.gz CBRUTJOETTWURT-KRWDZBQOSA-N 3 2 314.433 2.275 50 0 DEAALP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)CC1 ZINC000097743150 402131999 /nfs/dbraw/zinc/13/19/99/402131999.db2.gz CBRUTJOETTWURT-KRWDZBQOSA-N 3 2 314.433 2.275 50 0 DEAALP C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)n1cc[nH+]c1 ZINC000068313399 402193128 /nfs/dbraw/zinc/19/31/28/402193128.db2.gz AOCSEKCUCABIMM-CQSZACIVSA-N 2 2 318.396 2.174 50 0 DEAALP FC(F)CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000069489878 402226539 /nfs/dbraw/zinc/22/65/39/402226539.db2.gz PVHSYXOVXGBPST-UHFFFAOYSA-N 2 2 306.360 2.255 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)[nH+]1 ZINC000215280682 402282423 /nfs/dbraw/zinc/28/24/23/402282423.db2.gz GVUJJBDTNPANJL-OAHLLOKOSA-N 2 2 304.369 2.119 50 0 DEAALP O=C(Cn1cc[nH+]c1)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000216121475 402287103 /nfs/dbraw/zinc/28/71/03/402287103.db2.gz PXKOYAHZTDIYRC-QGZVFWFLSA-N 2 2 312.417 2.227 50 0 DEAALP Cc1cc(C)c(CNC(=O)CSCC[NH+]2CCCC2)c[nH+]1 ZINC000252500632 402656813 /nfs/dbraw/zinc/65/68/13/402656813.db2.gz SZNLKKYZRQUIDN-UHFFFAOYSA-N 2 2 307.463 2.144 50 0 DEAALP CN(Cc1[nH]cc[nH+]1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299767793 403569558 /nfs/dbraw/zinc/56/95/58/403569558.db2.gz KKYLKAGYJICHCU-UHFFFAOYSA-N 2 2 300.406 2.173 50 0 DEAALP C[N@H+](Cc1ncc[nH]1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299767793 403569563 /nfs/dbraw/zinc/56/95/63/403569563.db2.gz KKYLKAGYJICHCU-UHFFFAOYSA-N 2 2 300.406 2.173 50 0 DEAALP C[N@@H+](Cc1ncc[nH]1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299767793 403569568 /nfs/dbraw/zinc/56/95/68/403569568.db2.gz KKYLKAGYJICHCU-UHFFFAOYSA-N 2 2 300.406 2.173 50 0 DEAALP C[NH+](C)Cc1cnc(C[NH2+]C[C@@](C)(CO)c2ccccc2)s1 ZINC000342199241 404438295 /nfs/dbraw/zinc/43/82/95/404438295.db2.gz DTFIZVQFJAAOOF-KRWDZBQOSA-N 2 2 319.474 2.245 50 0 DEAALP CCCn1cc[nH+]c1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000426621568 405371677 /nfs/dbraw/zinc/37/16/77/405371677.db2.gz GRALPFLILBLKIW-UHFFFAOYSA-N 2 2 300.406 2.285 50 0 DEAALP COc1c(C)c[nH+]c(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000067226555 274088680 /nfs/dbraw/zinc/08/86/80/274088680.db2.gz RUCZHZYFLDDGMK-MRXNPFEDSA-N 2 2 319.449 2.004 50 0 DEAALP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595013 288103129 /nfs/dbraw/zinc/10/31/29/288103129.db2.gz VCASDZHAFUFHEY-FGTMMUONSA-N 3 2 323.525 2.340 50 0 DEAALP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595013 288103133 /nfs/dbraw/zinc/10/31/33/288103133.db2.gz VCASDZHAFUFHEY-FGTMMUONSA-N 3 2 323.525 2.340 50 0 DEAALP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493264290 288703371 /nfs/dbraw/zinc/70/33/71/288703371.db2.gz UVCWSZCUYVEOJJ-TZPOZWHTSA-N 2 2 310.401 2.224 50 0 DEAALP CCCNC(=O)C[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000089960184 185272147 /nfs/dbraw/zinc/27/21/47/185272147.db2.gz XYXIDBPAAAIMNW-UHFFFAOYSA-N 2 2 310.829 2.138 50 0 DEAALP CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000089949140 185271007 /nfs/dbraw/zinc/27/10/07/185271007.db2.gz NQFJFVJWFBSNJH-DOTOQJQBSA-N 2 2 314.433 2.379 50 0 DEAALP C[NH+](C)[C@H](C(=O)N1CC([NH+]2CCCCC2)C1)c1ccccc1F ZINC000223697015 282231340 /nfs/dbraw/zinc/23/13/40/282231340.db2.gz MDPOWFHFUWDCSE-KRWDZBQOSA-N 2 2 319.424 2.125 50 0 DEAALP Cc1cccn2c(CC(=O)N3CCCC[C@H]([NH+](C)C)C3)c[nH+]c12 ZINC000082115173 192357440 /nfs/dbraw/zinc/35/74/40/192357440.db2.gz MUICKLZNLQYANK-HNNXBMFYSA-N 2 2 314.433 2.128 50 0 DEAALP Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000072153177 191057708 /nfs/dbraw/zinc/05/77/08/191057708.db2.gz QLPHFSMVLHRSBC-OAHLLOKOSA-N 2 2 314.433 2.128 50 0 DEAALP Cn1ccnc1C[N@@H+]1CCCC12CCN(c1cccc[nH+]1)CC2 ZINC000072429448 191162842 /nfs/dbraw/zinc/16/28/42/191162842.db2.gz LZZAWSITZIEZBU-UHFFFAOYSA-N 2 2 311.433 2.450 50 0 DEAALP Cn1ccnc1C[N@H+]1CCCC12CCN(c1cccc[nH+]1)CC2 ZINC000072429448 191162844 /nfs/dbraw/zinc/16/28/44/191162844.db2.gz LZZAWSITZIEZBU-UHFFFAOYSA-N 2 2 311.433 2.450 50 0 DEAALP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000348187891 283051065 /nfs/dbraw/zinc/05/10/65/283051065.db2.gz QJBCOCJVIBFNKH-SFHVURJKSA-N 2 2 304.434 2.450 50 0 DEAALP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000348187891 283051066 /nfs/dbraw/zinc/05/10/66/283051066.db2.gz QJBCOCJVIBFNKH-SFHVURJKSA-N 2 2 304.434 2.450 50 0 DEAALP OC[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091547866 193071276 /nfs/dbraw/zinc/07/12/76/193071276.db2.gz UFHQHINNZHNJRQ-HZPDHXFCSA-N 2 2 324.415 2.491 50 0 DEAALP OC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091547866 193071277 /nfs/dbraw/zinc/07/12/77/193071277.db2.gz UFHQHINNZHNJRQ-HZPDHXFCSA-N 2 2 324.415 2.491 50 0 DEAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(C)ccc(C)c1C ZINC000022790015 182335442 /nfs/dbraw/zinc/33/54/42/182335442.db2.gz XBKYGHLSVYDCGL-ROUUACIJSA-N 2 2 320.477 2.425 50 0 DEAALP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(C)ccc(C)c1C ZINC000022790015 182335444 /nfs/dbraw/zinc/33/54/44/182335444.db2.gz XBKYGHLSVYDCGL-ROUUACIJSA-N 2 2 320.477 2.425 50 0 DEAALP COc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc(OC)c1OC ZINC000030909673 401867042 /nfs/dbraw/zinc/86/70/42/401867042.db2.gz KYCPBWJBDCLOBQ-GFCCVEGCSA-N 2 2 305.378 2.087 50 0 DEAALP CN(C)c1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC000077420809 401814873 /nfs/dbraw/zinc/81/48/73/401814873.db2.gz ARFFIAMQQSXBJF-QGZVFWFLSA-N 2 2 317.481 2.383 50 0 DEAALP CN(C)c1ncc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC000077420809 401814875 /nfs/dbraw/zinc/81/48/75/401814875.db2.gz ARFFIAMQQSXBJF-QGZVFWFLSA-N 2 2 317.481 2.383 50 0 DEAALP O=C(NC1CC1)[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000084519368 401906640 /nfs/dbraw/zinc/90/66/40/401906640.db2.gz PKWDMPYYTJIQRQ-DOTOQJQBSA-N 2 2 324.428 2.370 50 0 DEAALP CN(C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000089661712 401956450 /nfs/dbraw/zinc/95/64/50/401956450.db2.gz HLYWCOARAWPEOX-HNNXBMFYSA-N 2 2 322.453 2.462 50 0 DEAALP CN(C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000089661712 401956451 /nfs/dbraw/zinc/95/64/51/401956451.db2.gz HLYWCOARAWPEOX-HNNXBMFYSA-N 2 2 322.453 2.462 50 0 DEAALP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095354101 402027118 /nfs/dbraw/zinc/02/71/18/402027118.db2.gz IHXMZOLAIAYGHD-QZTJIDSGSA-N 2 2 324.428 2.006 50 0 DEAALP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095354101 402027121 /nfs/dbraw/zinc/02/71/21/402027121.db2.gz IHXMZOLAIAYGHD-QZTJIDSGSA-N 2 2 324.428 2.006 50 0 DEAALP Nc1cc[nH+]c(N2CCC(c3[nH]c4ccc(F)cc4[nH+]3)CC2)n1 ZINC000095367121 402028670 /nfs/dbraw/zinc/02/86/70/402028670.db2.gz CQUZPKXCZMDEJN-UHFFFAOYSA-N 2 2 312.352 2.458 50 0 DEAALP Cc1c[nH+]ccc1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000097035177 402101021 /nfs/dbraw/zinc/10/10/21/402101021.db2.gz KLMJDKBLPIGKSL-UHFFFAOYSA-N 2 2 320.437 2.212 50 0 DEAALP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C[N@@H+]1C1CC1 ZINC000097081088 402104581 /nfs/dbraw/zinc/10/45/81/402104581.db2.gz QKSQDTVLHBAYML-TZMCWYRMSA-N 2 2 306.479 2.327 50 0 DEAALP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C[N@H+]1C1CC1 ZINC000097081088 402104583 /nfs/dbraw/zinc/10/45/83/402104583.db2.gz QKSQDTVLHBAYML-TZMCWYRMSA-N 2 2 306.479 2.327 50 0 DEAALP CC(C)c1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000067756169 402171770 /nfs/dbraw/zinc/17/17/70/402171770.db2.gz NRKPDPHFOKKTJB-AWEZNQCLSA-N 2 2 314.433 2.228 50 0 DEAALP CC(C)c1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000067756169 402171774 /nfs/dbraw/zinc/17/17/74/402171774.db2.gz NRKPDPHFOKKTJB-AWEZNQCLSA-N 2 2 314.433 2.228 50 0 DEAALP CC(C)[NH+]1CCC(CNC(=O)C[NH+]2Cc3ccccc3C2)CC1 ZINC000067833420 402174075 /nfs/dbraw/zinc/17/40/75/402174075.db2.gz VLEWLZSDOPDGLS-UHFFFAOYSA-N 2 2 315.461 2.239 50 0 DEAALP CSc1cccc(CN(C)C(=O)C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000215688061 402284989 /nfs/dbraw/zinc/28/49/89/402284989.db2.gz OOHGZDNSEYBUGJ-UHFFFAOYSA-N 2 2 321.490 2.051 50 0 DEAALP CSc1cccc(CN(C)C(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000215688061 402284990 /nfs/dbraw/zinc/28/49/90/402284990.db2.gz OOHGZDNSEYBUGJ-UHFFFAOYSA-N 2 2 321.490 2.051 50 0 DEAALP Nc1nc(NCCc2ccc(F)cc2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000222629886 402307948 /nfs/dbraw/zinc/30/79/48/402307948.db2.gz UMLPXBFOWAUXLC-UHFFFAOYSA-N 2 2 301.369 2.057 50 0 DEAALP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229356758 402342397 /nfs/dbraw/zinc/34/23/97/402342397.db2.gz CGZPDVQMKHAYJQ-CVEARBPZSA-N 2 2 312.417 2.088 50 0 DEAALP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229356758 402342398 /nfs/dbraw/zinc/34/23/98/402342398.db2.gz CGZPDVQMKHAYJQ-CVEARBPZSA-N 2 2 312.417 2.088 50 0 DEAALP Cc1cccn2c(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)c[nH+]c12 ZINC000230181797 402348745 /nfs/dbraw/zinc/34/87/45/402348745.db2.gz DFSYIMBNOAVPEW-HUUCEWRRSA-N 2 2 303.431 2.349 50 0 DEAALP Cc1cccn2c(C[N@H+]3CCS[C@@H]4COCC[C@H]43)c[nH+]c12 ZINC000230181797 402348747 /nfs/dbraw/zinc/34/87/47/402348747.db2.gz DFSYIMBNOAVPEW-HUUCEWRRSA-N 2 2 303.431 2.349 50 0 DEAALP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000249291868 402624889 /nfs/dbraw/zinc/62/48/89/402624889.db2.gz ALCAPYHHFOCNNY-JKSUJKDBSA-N 2 2 316.511 2.150 50 0 DEAALP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000249291868 402624891 /nfs/dbraw/zinc/62/48/91/402624891.db2.gz ALCAPYHHFOCNNY-JKSUJKDBSA-N 2 2 316.511 2.150 50 0 DEAALP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCCCCO)CC[N@@H+]1C ZINC000585118074 405870221 /nfs/dbraw/zinc/87/02/21/405870221.db2.gz ANUGWYXKRPNIBP-DOTOQJQBSA-N 2 2 306.450 2.410 50 0 DEAALP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCCCCO)CC[N@H+]1C ZINC000585118074 405870226 /nfs/dbraw/zinc/87/02/26/405870226.db2.gz ANUGWYXKRPNIBP-DOTOQJQBSA-N 2 2 306.450 2.410 50 0 DEAALP COCCn1c(C)c[nH+]c1[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000575316258 406807020 /nfs/dbraw/zinc/80/70/20/406807020.db2.gz BFHFPWJASXIAMY-INIZCTEOSA-N 2 2 300.406 2.222 50 0 DEAALP COCCn1c(C)c[nH+]c1[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000575316258 406807024 /nfs/dbraw/zinc/80/70/24/406807024.db2.gz BFHFPWJASXIAMY-INIZCTEOSA-N 2 2 300.406 2.222 50 0 DEAALP C[N@@H+]1CCN2CC[NH+](Cc3ccc(-c4ccco4)cc3)C[C@@H]2C1 ZINC000216006400 277115537 /nfs/dbraw/zinc/11/55/37/277115537.db2.gz LWULAKYDYVLTSW-SFHVURJKSA-N 2 2 311.429 2.378 50 0 DEAALP C[N@H+]1CCN2CC[NH+](Cc3ccc(-c4ccco4)cc3)C[C@@H]2C1 ZINC000216006400 277115538 /nfs/dbraw/zinc/11/55/38/277115538.db2.gz LWULAKYDYVLTSW-SFHVURJKSA-N 2 2 311.429 2.378 50 0 DEAALP C[NH+]1CCN2CC[N@H+](Cc3ccc(-c4ccco4)cc3)C[C@@H]2C1 ZINC000216006400 277115540 /nfs/dbraw/zinc/11/55/40/277115540.db2.gz LWULAKYDYVLTSW-SFHVURJKSA-N 2 2 311.429 2.378 50 0 DEAALP C[NH+]1CCN2CC[N@@H+](Cc3ccc(-c4ccco4)cc3)C[C@@H]2C1 ZINC000216006400 277115541 /nfs/dbraw/zinc/11/55/41/277115541.db2.gz LWULAKYDYVLTSW-SFHVURJKSA-N 2 2 311.429 2.378 50 0 DEAALP CC[NH+](CC)CCC[C@H](C)NC(=O)N1CCc2[nH+]c(C)[nH]c2C1 ZINC000534634270 334308707 /nfs/dbraw/zinc/30/87/07/334308707.db2.gz KHQTVLPIHGYCBP-ZDUSSCGKSA-N 2 2 321.469 2.296 50 0 DEAALP CC[NH+](CC)CCC[C@H](C)NC(=O)N1CCc2[nH]c(C)[nH+]c2C1 ZINC000534634270 334308708 /nfs/dbraw/zinc/30/87/08/334308708.db2.gz KHQTVLPIHGYCBP-ZDUSSCGKSA-N 2 2 321.469 2.296 50 0 DEAALP Cc1cc[nH+]c(N2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000161621560 337383430 /nfs/dbraw/zinc/38/34/30/337383430.db2.gz ZWDIXOZRCJEDPL-UHFFFAOYSA-N 2 2 302.466 2.388 50 0 DEAALP CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000089949138 185271233 /nfs/dbraw/zinc/27/12/33/185271233.db2.gz NQFJFVJWFBSNJH-RDJZCZTQSA-N 2 2 314.433 2.379 50 0 DEAALP CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc3[nH+]c(C)[nH]c3c2)C1 ZINC000584897609 357329485 /nfs/dbraw/zinc/32/94/85/357329485.db2.gz WHNLABOVZZDUTQ-CYBMUJFWSA-N 2 2 302.378 2.192 50 0 DEAALP CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc3[nH]c(C)[nH+]c3c2)C1 ZINC000584897609 357329487 /nfs/dbraw/zinc/32/94/87/357329487.db2.gz WHNLABOVZZDUTQ-CYBMUJFWSA-N 2 2 302.378 2.192 50 0 DEAALP Cc1cccc2[nH+]c(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cn21 ZINC000237839996 202366916 /nfs/dbraw/zinc/36/69/16/202366916.db2.gz AUBAUPFJCWHYFF-GOOCMWNKSA-N 2 2 312.417 2.180 50 0 DEAALP CO[C@@H]1CCC[N@H+](CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000091772552 193105463 /nfs/dbraw/zinc/10/54/63/193105463.db2.gz YXRSDWPSKPASAN-QGZVFWFLSA-N 2 2 310.482 2.380 50 0 DEAALP CO[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000091772552 193105465 /nfs/dbraw/zinc/10/54/65/193105465.db2.gz YXRSDWPSKPASAN-QGZVFWFLSA-N 2 2 310.482 2.380 50 0 DEAALP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1CO ZINC000091848774 193117323 /nfs/dbraw/zinc/11/73/23/193117323.db2.gz PXKMRMSJMOPEED-CHWSQXEVSA-N 2 2 300.805 2.081 50 0 DEAALP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1CO ZINC000091848774 193117325 /nfs/dbraw/zinc/11/73/25/193117325.db2.gz PXKMRMSJMOPEED-CHWSQXEVSA-N 2 2 300.805 2.081 50 0 DEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)c3cccs3)C2)CC1 ZINC000020455539 182219357 /nfs/dbraw/zinc/21/93/57/182219357.db2.gz RYGXWJDUGBGHFU-ZDUSSCGKSA-N 2 2 307.463 2.037 50 0 DEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)c3cccs3)C2)CC1 ZINC000020455539 182219358 /nfs/dbraw/zinc/21/93/58/182219358.db2.gz RYGXWJDUGBGHFU-ZDUSSCGKSA-N 2 2 307.463 2.037 50 0 DEAALP Cc1nc(C)c(C[NH+]2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)s1 ZINC000020997847 182258372 /nfs/dbraw/zinc/25/83/72/182258372.db2.gz BXYNHSMUIXHUSE-HNNXBMFYSA-N 2 2 323.506 2.429 50 0 DEAALP Cc1nc(C)c(C[NH+]2CCC([N@H+]3CCC[C@H](CO)C3)CC2)s1 ZINC000020997847 182258376 /nfs/dbraw/zinc/25/83/76/182258376.db2.gz BXYNHSMUIXHUSE-HNNXBMFYSA-N 2 2 323.506 2.429 50 0 DEAALP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000022790322 182335404 /nfs/dbraw/zinc/33/54/04/182335404.db2.gz LAOHVZJDOZRPER-AWEZNQCLSA-N 2 2 305.422 2.098 50 0 DEAALP c1ccc2[nH+]c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)[nH]c2c1 ZINC000270600305 257237995 /nfs/dbraw/zinc/23/79/95/257237995.db2.gz VTZUFFAEKRBFII-ZDUSSCGKSA-N 2 2 300.406 2.476 50 0 DEAALP NC(=O)C1([NH2+]C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000017003626 401820047 /nfs/dbraw/zinc/82/00/47/401820047.db2.gz WVWNBANESWUIBO-UHFFFAOYSA-N 2 2 315.461 2.429 50 0 DEAALP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NC1CCC(C)CC1 ZINC000089922639 401973574 /nfs/dbraw/zinc/97/35/74/401973574.db2.gz SGOLMYORLCTRJY-PWUWZPNHSA-N 2 2 318.465 2.434 50 0 DEAALP Cc1[nH+]ccn1CCCNC(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095386679 402031353 /nfs/dbraw/zinc/03/13/53/402031353.db2.gz GMQNKKMSYJOLLV-MRXNPFEDSA-N 2 2 318.396 2.140 50 0 DEAALP Cc1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccncc2)n(C)n1 ZINC000055061220 402075621 /nfs/dbraw/zinc/07/56/21/402075621.db2.gz XMRFWFPBIGCBLF-UHFFFAOYSA-N 2 2 324.432 2.413 50 0 DEAALP Cc1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccncc2)n(C)n1 ZINC000055061220 402075623 /nfs/dbraw/zinc/07/56/23/402075623.db2.gz XMRFWFPBIGCBLF-UHFFFAOYSA-N 2 2 324.432 2.413 50 0 DEAALP Cc1cc(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc[nH+]1 ZINC000096494158 402096370 /nfs/dbraw/zinc/09/63/70/402096370.db2.gz XDRXZWJVHAMANZ-UHFFFAOYSA-N 2 2 320.437 2.212 50 0 DEAALP C[C@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C[N@@H+]1C1CC1 ZINC000097081089 402104383 /nfs/dbraw/zinc/10/43/83/402104383.db2.gz QKSQDTVLHBAYML-GXTWGEPZSA-N 2 2 306.479 2.327 50 0 DEAALP C[C@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C[N@H+]1C1CC1 ZINC000097081089 402104385 /nfs/dbraw/zinc/10/43/85/402104385.db2.gz QKSQDTVLHBAYML-GXTWGEPZSA-N 2 2 306.479 2.327 50 0 DEAALP OCC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000071278584 402271991 /nfs/dbraw/zinc/27/19/91/402271991.db2.gz ZLSCDEPVLXJNRR-UHFFFAOYSA-N 2 2 303.450 2.188 50 0 DEAALP COCCn1cc[nH+]c1CN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000215270579 402281584 /nfs/dbraw/zinc/28/15/84/402281584.db2.gz JEIUTMCXHDEYRT-KRWDZBQOSA-N 2 2 320.481 2.227 50 0 DEAALP [NH3+][C@@H]1CC[N@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C1 ZINC000215958455 402285802 /nfs/dbraw/zinc/28/58/02/402285802.db2.gz OZLUAUAVAUDDOD-QGZVFWFLSA-N 3 2 303.450 2.084 50 0 DEAALP Cc1nc(NCC2(C[NH+]3CCCC3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000218828829 402296466 /nfs/dbraw/zinc/29/64/66/402296466.db2.gz ULAPRFUSTFCROJ-UHFFFAOYSA-N 2 2 316.449 2.311 50 0 DEAALP Cc1[nH+]c2cc(CNC(=O)C[N@H+](C)C3CCCC3)ccc2n1C ZINC000219909921 402299733 /nfs/dbraw/zinc/29/97/33/402299733.db2.gz YFAJIDOSYDFDGF-UHFFFAOYSA-N 2 2 314.433 2.372 50 0 DEAALP Cc1[nH+]c2cc(CNC(=O)C[N@@H+](C)C3CCCC3)ccc2n1C ZINC000219909921 402299735 /nfs/dbraw/zinc/29/97/35/402299735.db2.gz YFAJIDOSYDFDGF-UHFFFAOYSA-N 2 2 314.433 2.372 50 0 DEAALP Cc1ccc(N2CCC([NH2+][C@H]3CCN(C(C)C)C3)CC2)[nH+]c1 ZINC000163463427 402450182 /nfs/dbraw/zinc/45/01/82/402450182.db2.gz OEBJEKNOSHHKHR-KRWDZBQOSA-N 2 2 302.466 2.431 50 0 DEAALP Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C(C)C)C3)CC2)[nH+]c1 ZINC000163463427 402450184 /nfs/dbraw/zinc/45/01/84/402450184.db2.gz OEBJEKNOSHHKHR-KRWDZBQOSA-N 3 2 302.466 2.431 50 0 DEAALP Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C(C)C)C3)CC2)[nH+]c1 ZINC000163463427 402450188 /nfs/dbraw/zinc/45/01/88/402450188.db2.gz OEBJEKNOSHHKHR-KRWDZBQOSA-N 3 2 302.466 2.431 50 0 DEAALP Cc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000192226270 402718446 /nfs/dbraw/zinc/71/84/46/402718446.db2.gz PTJVZPFCQHYBBU-QGZVFWFLSA-N 2 2 312.417 2.488 50 0 DEAALP Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000192226270 402718449 /nfs/dbraw/zinc/71/84/49/402718449.db2.gz PTJVZPFCQHYBBU-QGZVFWFLSA-N 2 2 312.417 2.488 50 0 DEAALP C[N@@H+]1CC[C@H]2CC[NH+](CCC(=O)Nc3ccc(F)cc3)[C@@H]2C1 ZINC000253417142 402664805 /nfs/dbraw/zinc/66/48/05/402664805.db2.gz VIYCJVJKNSCSMJ-XJKSGUPXSA-N 2 2 305.397 2.180 50 0 DEAALP C[N@H+]1CC[C@H]2CC[NH+](CCC(=O)Nc3ccc(F)cc3)[C@@H]2C1 ZINC000253417142 402664807 /nfs/dbraw/zinc/66/48/07/402664807.db2.gz VIYCJVJKNSCSMJ-XJKSGUPXSA-N 2 2 305.397 2.180 50 0 DEAALP C[NH+]1CC[C@H]2CC[N@H+](CCC(=O)Nc3ccc(F)cc3)[C@@H]2C1 ZINC000253417142 402664810 /nfs/dbraw/zinc/66/48/10/402664810.db2.gz VIYCJVJKNSCSMJ-XJKSGUPXSA-N 2 2 305.397 2.180 50 0 DEAALP C[NH+]1CC[C@H]2CC[N@@H+](CCC(=O)Nc3ccc(F)cc3)[C@@H]2C1 ZINC000253417142 402664812 /nfs/dbraw/zinc/66/48/12/402664812.db2.gz VIYCJVJKNSCSMJ-XJKSGUPXSA-N 2 2 305.397 2.180 50 0 DEAALP Nc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000280636419 403021992 /nfs/dbraw/zinc/02/19/92/403021992.db2.gz ZDKLMUBCNMIUPH-HDICACEKSA-N 2 2 308.429 2.228 50 0 DEAALP Nc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000280636419 403021993 /nfs/dbraw/zinc/02/19/93/403021993.db2.gz ZDKLMUBCNMIUPH-HDICACEKSA-N 2 2 308.429 2.228 50 0 DEAALP Nc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000280636419 403021995 /nfs/dbraw/zinc/02/19/95/403021995.db2.gz ZDKLMUBCNMIUPH-HDICACEKSA-N 2 2 308.429 2.228 50 0 DEAALP Nc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000280636419 403021997 /nfs/dbraw/zinc/02/19/97/403021997.db2.gz ZDKLMUBCNMIUPH-HDICACEKSA-N 2 2 308.429 2.228 50 0 DEAALP Cc1c[nH]c([C@H](C)NC(=O)c2ccc(C)c(OCCC[NH3+])c2)[nH+]1 ZINC000299756833 403566585 /nfs/dbraw/zinc/56/65/85/403566585.db2.gz HOFSORPQPWEPIS-ZDUSSCGKSA-N 2 2 316.405 2.245 50 0 DEAALP CCCN(Cc1[nH+]ccn1C)C(=O)CC[C@@H](C)[NH+]1CCCC1 ZINC000426544988 405368144 /nfs/dbraw/zinc/36/81/44/405368144.db2.gz IYVCEKSSNIMKDC-OAHLLOKOSA-N 2 2 306.454 2.423 50 0 DEAALP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000426652989 405373507 /nfs/dbraw/zinc/37/35/07/405373507.db2.gz QFWOYDNBVMFGIB-CYBMUJFWSA-N 2 2 309.373 2.255 50 0 DEAALP CCc1c(C)[nH+]c(C)nc1N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000077390983 276657357 /nfs/dbraw/zinc/65/73/57/276657357.db2.gz CJPUNKJXBQLBDB-UHFFFAOYSA-N 2 2 318.465 2.081 50 0 DEAALP CCn1cc[nH+]c1CN(C)C(=O)[C@H](c1cccc(C)c1)[NH+](C)C ZINC000095383964 288717071 /nfs/dbraw/zinc/71/70/71/288717071.db2.gz MAAXHOVKSBZAIQ-KRWDZBQOSA-N 2 2 314.433 2.473 50 0 DEAALP O[C@@H]1C[N@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@H]1F ZINC000952979716 792845223 /nfs/dbraw/zinc/84/52/23/792845223.db2.gz OJLPRSHZAQWUGR-QZTJIDSGSA-N 2 2 322.424 2.066 50 0 DEAALP O[C@@H]1C[N@@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@H]1F ZINC000952979716 792845236 /nfs/dbraw/zinc/84/52/36/792845236.db2.gz OJLPRSHZAQWUGR-QZTJIDSGSA-N 2 2 322.424 2.066 50 0 DEAALP CC(C)c1noc(C2CC[NH+](CCc3[nH+]ccn3C)CC2)n1 ZINC001506396426 1061934147 /nfs/dbraw/zinc/93/41/47/1061934147.db2.gz GITYKZLJTSJRLR-UHFFFAOYSA-N 2 2 303.410 2.349 50 0 DEAALP Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000072153176 191058023 /nfs/dbraw/zinc/05/80/23/191058023.db2.gz QLPHFSMVLHRSBC-HNNXBMFYSA-N 2 2 314.433 2.128 50 0 DEAALP CSc1ccc2c(c1)CC[N@@H+](Cc1cc3n(n1)CC[NH2+]C3)C2 ZINC000072152361 191058123 /nfs/dbraw/zinc/05/81/23/191058123.db2.gz PNPDMQRQBYLXTF-UHFFFAOYSA-N 2 2 314.458 2.267 50 0 DEAALP CSc1ccc2c(c1)CC[N@H+](Cc1cc3n(n1)CC[NH2+]C3)C2 ZINC000072152361 191058127 /nfs/dbraw/zinc/05/81/27/191058127.db2.gz PNPDMQRQBYLXTF-UHFFFAOYSA-N 2 2 314.458 2.267 50 0 DEAALP Cc1cccc(-c2nc(C[NH2+]C[C@]3(O)CCC[NH2+]C3)cs2)c1 ZINC000072448239 191170309 /nfs/dbraw/zinc/17/03/09/191170309.db2.gz FSTHOVLLSGCFFU-KRWDZBQOSA-N 2 2 317.458 2.323 50 0 DEAALP Cc1nn(C)c2nc[nH+]c(N(C)C[C@H]3CC[N@@H+](CC(C)C)C3)c12 ZINC000072458419 191172171 /nfs/dbraw/zinc/17/21/71/191172171.db2.gz QGDXBVVRBSJFMO-CQSZACIVSA-N 2 2 316.453 2.086 50 0 DEAALP Cc1nn(C)c2nc[nH+]c(N(C)C[C@H]3CC[N@H+](CC(C)C)C3)c12 ZINC000072458419 191172173 /nfs/dbraw/zinc/17/21/73/191172173.db2.gz QGDXBVVRBSJFMO-CQSZACIVSA-N 2 2 316.453 2.086 50 0 DEAALP O[C@@H]1CCC[N@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000670458218 540936819 /nfs/dbraw/zinc/93/68/19/540936819.db2.gz AROOLMSTMWBHOR-GFCCVEGCSA-N 2 2 303.328 2.359 50 0 DEAALP O[C@@H]1CCC[N@@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000670458218 540936820 /nfs/dbraw/zinc/93/68/20/540936820.db2.gz AROOLMSTMWBHOR-GFCCVEGCSA-N 2 2 303.328 2.359 50 0 DEAALP Nc1nc(NCCCc2ccccc2F)cc([C@H]2C[C@H]([NH3+])C2)[nH+]1 ZINC000244884308 202507038 /nfs/dbraw/zinc/50/70/38/202507038.db2.gz YJPQRALNCOSWHR-JOCQHMNTSA-N 2 2 315.396 2.447 50 0 DEAALP CCn1cc[nH+]c1CN1CC[N@@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000019772131 182145270 /nfs/dbraw/zinc/14/52/70/182145270.db2.gz OCGINQYBWIYZOO-KRWDZBQOSA-N 2 2 320.481 2.104 50 0 DEAALP CCn1cc[nH+]c1CN1CC[N@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000019772131 182145271 /nfs/dbraw/zinc/14/52/71/182145271.db2.gz OCGINQYBWIYZOO-KRWDZBQOSA-N 2 2 320.481 2.104 50 0 DEAALP CCCNC(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095380261 257271968 /nfs/dbraw/zinc/27/19/68/257271968.db2.gz CLEVNKGBENOZDP-HNNXBMFYSA-N 2 2 321.469 2.134 50 0 DEAALP CCOc1ccccc1N1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000000279943 401693649 /nfs/dbraw/zinc/69/36/49/401693649.db2.gz WJXBNQHXFKUBML-UHFFFAOYSA-N 2 2 303.450 2.302 50 0 DEAALP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)NC1CCC(C)CC1 ZINC000089922634 401973623 /nfs/dbraw/zinc/97/36/23/401973623.db2.gz SGOLMYORLCTRJY-FYRZTWFESA-N 2 2 318.465 2.434 50 0 DEAALP O=C(NCCCc1[nH]cc[nH+]1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095376266 402029507 /nfs/dbraw/zinc/02/95/07/402029507.db2.gz MWMPIJVQWSBPSO-MRXNPFEDSA-N 2 2 312.417 2.239 50 0 DEAALP Cc1ccc(OC[C@@H](O)C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000051951804 402037611 /nfs/dbraw/zinc/03/76/11/402037611.db2.gz LEVRPIAGUNUHHO-SFHVURJKSA-N 2 2 318.461 2.295 50 0 DEAALP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000095974516 402039622 /nfs/dbraw/zinc/03/96/22/402039622.db2.gz PJGGDODQRCLYBN-GFCCVEGCSA-N 2 2 319.346 2.180 50 0 DEAALP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000095974516 402039623 /nfs/dbraw/zinc/03/96/23/402039623.db2.gz PJGGDODQRCLYBN-GFCCVEGCSA-N 2 2 319.346 2.180 50 0 DEAALP C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)C1CC[NH+](C)CC1 ZINC000095990576 402043846 /nfs/dbraw/zinc/04/38/46/402043846.db2.gz UGSNCPJVYXFCSI-CQSZACIVSA-N 2 2 304.438 2.060 50 0 DEAALP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccccc1 ZINC000097200504 402115954 /nfs/dbraw/zinc/11/59/54/402115954.db2.gz VGMZFSKLJFTYNJ-KRWDZBQOSA-N 2 2 324.428 2.132 50 0 DEAALP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccccc1 ZINC000097200504 402115958 /nfs/dbraw/zinc/11/59/58/402115958.db2.gz VGMZFSKLJFTYNJ-KRWDZBQOSA-N 2 2 324.428 2.132 50 0 DEAALP Cc1nn(C)c2ncc(C[NH2+]CCc3cn4c([nH+]3)CCCC4)cc12 ZINC000097880494 402132983 /nfs/dbraw/zinc/13/29/83/402132983.db2.gz FELCAXRSDNDSCN-UHFFFAOYSA-N 2 2 324.432 2.142 50 0 DEAALP C[C@H](C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)N1CCOCC1 ZINC000067560277 402162344 /nfs/dbraw/zinc/16/23/44/402162344.db2.gz GEALUZVGLDKENT-MRXNPFEDSA-N 2 2 314.433 2.025 50 0 DEAALP C[C@H](C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)N1CCOCC1 ZINC000067560277 402162348 /nfs/dbraw/zinc/16/23/48/402162348.db2.gz GEALUZVGLDKENT-MRXNPFEDSA-N 2 2 314.433 2.025 50 0 DEAALP Cc1cc(C)c(-c2[nH+]ccn2CC[NH+](C)C)cc1Cn1cncn1 ZINC000071771340 402277547 /nfs/dbraw/zinc/27/75/47/402277547.db2.gz SJYSFYMIXPQBDM-UHFFFAOYSA-N 2 2 324.432 2.368 50 0 DEAALP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2sccc2Cl)C1 ZINC000252498146 402656726 /nfs/dbraw/zinc/65/67/26/402656726.db2.gz QVFANENQOPEPDC-LLVKDONJSA-N 2 2 315.870 2.079 50 0 DEAALP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2sccc2Cl)C1 ZINC000252498146 402656728 /nfs/dbraw/zinc/65/67/28/402656728.db2.gz QVFANENQOPEPDC-LLVKDONJSA-N 2 2 315.870 2.079 50 0 DEAALP Cc1ccc(C)c2c(=O)cc(C[N@@H+]3CCO[C@H](CC[NH3+])C3)[nH]c12 ZINC000253536414 402668054 /nfs/dbraw/zinc/66/80/54/402668054.db2.gz PYTWZGMJYHCEOD-OAHLLOKOSA-N 2 2 315.417 2.107 50 0 DEAALP Cc1ccc(C)c2c(=O)cc(C[N@H+]3CCO[C@H](CC[NH3+])C3)[nH]c12 ZINC000253536414 402668057 /nfs/dbraw/zinc/66/80/57/402668057.db2.gz PYTWZGMJYHCEOD-OAHLLOKOSA-N 2 2 315.417 2.107 50 0 DEAALP Cc1nonc1C[N@@H+](C)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299787033 403575894 /nfs/dbraw/zinc/57/58/94/403575894.db2.gz UXGDIRFYOIMPLM-UHFFFAOYSA-N 2 2 316.405 2.141 50 0 DEAALP Cc1nonc1C[N@H+](C)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299787033 403575899 /nfs/dbraw/zinc/57/58/99/403575899.db2.gz UXGDIRFYOIMPLM-UHFFFAOYSA-N 2 2 316.405 2.141 50 0 DEAALP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000408513664 227235872 /nfs/dbraw/zinc/23/58/72/227235872.db2.gz HRCMIIKIKRAXGQ-GOEBONIOSA-N 2 2 310.401 2.015 50 0 DEAALP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000408513664 227235877 /nfs/dbraw/zinc/23/58/77/227235877.db2.gz HRCMIIKIKRAXGQ-GOEBONIOSA-N 2 2 310.401 2.015 50 0 DEAALP CN(C)c1ncc(C[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000048353496 424833284 /nfs/dbraw/zinc/83/32/84/424833284.db2.gz RLXUKHCOQDMJBO-UHFFFAOYSA-N 2 2 301.419 2.189 50 0 DEAALP CC/C=C(\C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000585087401 789688205 /nfs/dbraw/zinc/68/82/05/789688205.db2.gz HRCNZARWEDBVMF-FRKPEAEDSA-N 2 2 307.482 2.361 50 0 DEAALP 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/nfs/dbraw/zinc/66/45/10/402664510.db2.gz VIYCJVJKNSCSMJ-BBRMVZONSA-N 2 2 305.397 2.180 50 0 DEAALP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2Cc3ccccc3C2)C1 ZINC000299775186 403572237 /nfs/dbraw/zinc/57/22/37/403572237.db2.gz AMLHFQJMSAQKSU-MRXNPFEDSA-N 2 2 315.461 2.096 50 0 DEAALP CC(C)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2Cc3ccccc3C2)C1 ZINC000299775186 403572240 /nfs/dbraw/zinc/57/22/40/403572240.db2.gz AMLHFQJMSAQKSU-MRXNPFEDSA-N 2 2 315.461 2.096 50 0 DEAALP COCc1[nH+]cc(C)n1C[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000575549629 406812511 /nfs/dbraw/zinc/81/25/11/406812511.db2.gz PCOVLQVSOYWASG-OAHLLOKOSA-N 2 2 307.438 2.229 50 0 DEAALP COCc1[nH+]cc(C)n1C[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000575549629 406812514 /nfs/dbraw/zinc/81/25/14/406812514.db2.gz PCOVLQVSOYWASG-OAHLLOKOSA-N 2 2 307.438 2.229 50 0 DEAALP CC1CC[NH+](Cc2ccc(C(=O)NCCc3[nH]cc[nH+]3)o2)CC1 ZINC000534587170 334292338 /nfs/dbraw/zinc/29/23/38/334292338.db2.gz ZXMNPURGBANUTH-UHFFFAOYSA-N 2 2 316.405 2.207 50 0 DEAALP CC[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000222980700 563729779 /nfs/dbraw/zinc/72/97/79/563729779.db2.gz WTPGOEAXQKNPGF-KRWDZBQOSA-N 2 2 314.433 2.218 50 0 DEAALP CC[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000222980700 563729782 /nfs/dbraw/zinc/72/97/82/563729782.db2.gz WTPGOEAXQKNPGF-KRWDZBQOSA-N 2 2 314.433 2.218 50 0 DEAALP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)C12CCC2 ZINC000405218751 802044639 /nfs/dbraw/zinc/04/46/39/802044639.db2.gz LNSXFBSFLRMHGC-UONOGXRCSA-N 2 2 320.437 2.309 50 0 DEAALP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000089977201 185273209 /nfs/dbraw/zinc/27/32/09/185273209.db2.gz DYQDOENPORHUIU-LLVKDONJSA-N 2 2 311.376 2.366 50 0 DEAALP CC[NH+](CC)CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000143035227 186033497 /nfs/dbraw/zinc/03/34/97/186033497.db2.gz LOOSRKSGKTWFHP-CQSZACIVSA-N 2 2 300.406 2.391 50 0 DEAALP COc1cccc(C[N@@H+]2CCC[C@@H](Nc3cc(N)[nH+]cn3)C2)c1 ZINC000072430795 191163169 /nfs/dbraw/zinc/16/31/69/191163169.db2.gz AQIHQHKZZICUFQ-CQSZACIVSA-N 2 2 313.405 2.144 50 0 DEAALP COc1cccc(C[N@H+]2CCC[C@@H](Nc3cc(N)[nH+]cn3)C2)c1 ZINC000072430795 191163171 /nfs/dbraw/zinc/16/31/71/191163171.db2.gz AQIHQHKZZICUFQ-CQSZACIVSA-N 2 2 313.405 2.144 50 0 DEAALP COc1cccc(C[N@@H+]2CCC[C@H](Nc3cc(N)[nH+]cn3)C2)c1 ZINC000072430794 191162236 /nfs/dbraw/zinc/16/22/36/191162236.db2.gz AQIHQHKZZICUFQ-AWEZNQCLSA-N 2 2 313.405 2.144 50 0 DEAALP COc1cccc(C[N@H+]2CCC[C@H](Nc3cc(N)[nH+]cn3)C2)c1 ZINC000072430794 191162240 /nfs/dbraw/zinc/16/22/40/191162240.db2.gz AQIHQHKZZICUFQ-AWEZNQCLSA-N 2 2 313.405 2.144 50 0 DEAALP C[C@@H]1C[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)C[N@@H+]1C1CC1 ZINC000079073662 355294938 /nfs/dbraw/zinc/29/49/38/355294938.db2.gz IPTGHYXYGVCAFM-MLGOLLRUSA-N 2 2 320.408 2.450 50 0 DEAALP C[C@@H]1C[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)C[N@H+]1C1CC1 ZINC000079073662 355294943 /nfs/dbraw/zinc/29/49/43/355294943.db2.gz IPTGHYXYGVCAFM-MLGOLLRUSA-N 2 2 320.408 2.450 50 0 DEAALP CCc1cc(C[NH+]2CCC(c3[nH+]ccn3CCOC)CC2)on1 ZINC000092037116 193144277 /nfs/dbraw/zinc/14/42/77/193144277.db2.gz DRPFYWHWZNSHPG-UHFFFAOYSA-N 2 2 318.421 2.460 50 0 DEAALP C[C@@H](O)C[NH2+]CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000020550774 182230045 /nfs/dbraw/zinc/23/00/45/182230045.db2.gz FDEWRGGYIHQGCH-MRXNPFEDSA-N 2 2 314.429 2.326 50 0 DEAALP Cc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000119911068 195060647 /nfs/dbraw/zinc/06/06/47/195060647.db2.gz BNLCVDVVCBMXAQ-AWEZNQCLSA-N 2 2 318.421 2.012 50 0 DEAALP CC[C@@H](Nc1nc(N)[nH+]c2c1CC[NH2+]CC2)c1cccs1 ZINC000072408222 257270739 /nfs/dbraw/zinc/27/07/39/257270739.db2.gz CAQGVWCZRIZMKO-LLVKDONJSA-N 2 2 303.435 2.372 50 0 DEAALP CC[NH+](CC)CCC[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000025393030 401833744 /nfs/dbraw/zinc/83/37/44/401833744.db2.gz TVHHNFFWBDXLLH-UHFFFAOYSA-N 2 2 303.450 2.435 50 0 DEAALP COc1cc2c(cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1)O[C@@H](C)C2 ZINC000030909790 401867170 /nfs/dbraw/zinc/86/71/70/401867170.db2.gz OGILDRROQKYULC-STQMWFEESA-N 2 2 301.390 2.393 50 0 DEAALP CC(C)(C)C(=O)N1CCC([NH2+]C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000084140024 401902602 /nfs/dbraw/zinc/90/26/02/401902602.db2.gz JCJFQVJGXMVKBG-CQSZACIVSA-N 2 2 318.465 2.387 50 0 DEAALP c1ccc(N2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)[nH+]c1 ZINC000095949710 402036072 /nfs/dbraw/zinc/03/60/72/402036072.db2.gz ULXDKEIHTCZCGU-UHFFFAOYSA-N 2 2 317.433 2.326 50 0 DEAALP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000097233637 402119114 /nfs/dbraw/zinc/11/91/14/402119114.db2.gz GELCXZNEOZPOBM-KBPBESRZSA-N 2 2 308.426 2.118 50 0 DEAALP Cc1[nH+]ccn1C[C@H](C)[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000067604829 402164101 /nfs/dbraw/zinc/16/41/01/402164101.db2.gz JFBRBUJREVSZNN-NSHDSACASA-N 2 2 314.418 2.283 50 0 DEAALP CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000067725457 402170531 /nfs/dbraw/zinc/17/05/31/402170531.db2.gz AFSLTRSGUALYSW-KRWDZBQOSA-N 2 2 324.428 2.086 50 0 DEAALP C[N@H+](CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)Cc1ccccc1 ZINC000071796447 402277985 /nfs/dbraw/zinc/27/79/85/402277985.db2.gz IGVPYPPJLRSVNE-KRWDZBQOSA-N 2 2 312.417 2.179 50 0 DEAALP C[N@@H+](CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)Cc1ccccc1 ZINC000071796447 402277988 /nfs/dbraw/zinc/27/79/88/402277988.db2.gz IGVPYPPJLRSVNE-KRWDZBQOSA-N 2 2 312.417 2.179 50 0 DEAALP Cc1ccc([C@H](C(=O)N2CC([NH+]3CCCCC3)C2)[NH+](C)C)cc1 ZINC000091416625 292238995 /nfs/dbraw/zinc/23/89/95/292238995.db2.gz JLLDIVFFQBKGDX-GOSISDBHSA-N 2 2 315.461 2.294 50 0 DEAALP CC(=O)c1ccc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000252505755 402657145 /nfs/dbraw/zinc/65/71/45/402657145.db2.gz VTLKYTVUVKARKY-GOSISDBHSA-N 2 2 315.461 2.496 50 0 DEAALP CC(=O)c1ccc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000252505755 402657147 /nfs/dbraw/zinc/65/71/47/402657147.db2.gz VTLKYTVUVKARKY-GOSISDBHSA-N 2 2 315.461 2.496 50 0 DEAALP CCn1cc[nH+]c1CN(C)C(=O)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000095360874 288717135 /nfs/dbraw/zinc/71/71/35/288717135.db2.gz ZBZXLRADKDFBCN-QGZVFWFLSA-N 2 2 314.433 2.473 50 0 DEAALP CCc1[nH+]ccn1C[C@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC001506406809 1061948287 /nfs/dbraw/zinc/94/82/87/1061948287.db2.gz JMPDQYIOICWREF-HNNXBMFYSA-N 2 2 314.433 2.362 50 0 DEAALP Nc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)nc[nH+]1 ZINC000072410309 191154730 /nfs/dbraw/zinc/15/47/30/191154730.db2.gz PEGIDGLEQYANBA-ZDUSSCGKSA-N 2 2 301.369 2.274 50 0 DEAALP Nc1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc[nH+]1 ZINC000072410309 191154731 /nfs/dbraw/zinc/15/47/31/191154731.db2.gz PEGIDGLEQYANBA-ZDUSSCGKSA-N 2 2 301.369 2.274 50 0 DEAALP C[NH2+]C[C@@H]1CCCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000237245161 202204008 /nfs/dbraw/zinc/20/40/08/202204008.db2.gz XJIJSQMKVZVRMB-NADMHLTPSA-N 2 2 324.428 2.344 50 0 DEAALP CCCCc1[nH]c(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c[nH+]1 ZINC000039356894 183017320 /nfs/dbraw/zinc/01/73/20/183017320.db2.gz FNWRTBPCWJDDHS-QGZVFWFLSA-N 2 2 322.497 2.277 50 0 DEAALP CCCCc1[nH]c(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c[nH+]1 ZINC000039356894 183017325 /nfs/dbraw/zinc/01/73/25/183017325.db2.gz FNWRTBPCWJDDHS-QGZVFWFLSA-N 2 2 322.497 2.277 50 0 DEAALP CCCCc1[nH]cc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)[nH+]1 ZINC000039356894 183017327 /nfs/dbraw/zinc/01/73/27/183017327.db2.gz FNWRTBPCWJDDHS-QGZVFWFLSA-N 2 2 322.497 2.277 50 0 DEAALP CCCCc1[nH]cc(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)[nH+]1 ZINC000039356894 183017329 /nfs/dbraw/zinc/01/73/29/183017329.db2.gz FNWRTBPCWJDDHS-QGZVFWFLSA-N 2 2 322.497 2.277 50 0 DEAALP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)c1ccco1 ZINC000058354798 184107700 /nfs/dbraw/zinc/10/77/00/184107700.db2.gz HAWLLWSFXXOADU-KGLIPLIRSA-N 2 2 304.394 2.236 50 0 DEAALP COc1ccc2c(c1)[nH+]cn2C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063856435 184289930 /nfs/dbraw/zinc/28/99/30/184289930.db2.gz LPHFMJMLKLLGJP-QZTJIDSGSA-N 2 2 315.417 2.424 50 0 DEAALP COc1ccc2c(c1)[nH+]cn2C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063856435 184289932 /nfs/dbraw/zinc/28/99/32/184289932.db2.gz LPHFMJMLKLLGJP-QZTJIDSGSA-N 2 2 315.417 2.424 50 0 DEAALP Cc1ccc[nH+]c1C[C@@H](C)Nc1nc(C)nc2c1CC[NH2+]CC2 ZINC000065535081 184362497 /nfs/dbraw/zinc/36/24/97/184362497.db2.gz BSXWTGGVUXZOLM-CYBMUJFWSA-N 2 2 311.433 2.220 50 0 DEAALP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000065538514 184363436 /nfs/dbraw/zinc/36/34/36/184363436.db2.gz CSLZTDFWODWIJH-UHFFFAOYSA-N 2 2 319.497 2.326 50 0 DEAALP C[C@@H](O)CCC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408519768 533588472 /nfs/dbraw/zinc/58/84/72/533588472.db2.gz ZWOMFTYLLKAIFE-CVEARBPZSA-N 2 2 319.449 2.296 50 0 DEAALP C[C@@H](O)CCC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408519768 533588473 /nfs/dbraw/zinc/58/84/73/533588473.db2.gz ZWOMFTYLLKAIFE-CVEARBPZSA-N 2 2 319.449 2.296 50 0 DEAALP COc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c(OC)c1OC ZINC000030909698 401867147 /nfs/dbraw/zinc/86/71/47/401867147.db2.gz BQXWQFDYUFXZPY-LBPRGKRZSA-N 2 2 305.378 2.087 50 0 DEAALP O=C(C[N@@H+]1CCc2ccccc2C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077386475 401813546 /nfs/dbraw/zinc/81/35/46/401813546.db2.gz TWMHFMBYPCUHMK-QGZVFWFLSA-N 2 2 324.428 2.174 50 0 DEAALP O=C(C[N@H+]1CCc2ccccc2C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077386475 401813547 /nfs/dbraw/zinc/81/35/47/401813547.db2.gz TWMHFMBYPCUHMK-QGZVFWFLSA-N 2 2 324.428 2.174 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)[nH+]1 ZINC000095361477 402027513 /nfs/dbraw/zinc/02/75/13/402027513.db2.gz NUKTWWWFNMEAFB-INIZCTEOSA-N 2 2 312.417 2.457 50 0 DEAALP NC(=O)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052004733 402038450 /nfs/dbraw/zinc/03/84/50/402038450.db2.gz HUCYDKQIXZSBCZ-UHFFFAOYSA-N 2 2 301.434 2.236 50 0 DEAALP Cc1cccc(N2CC[N@H+](CCOC[C@@H]3CCCO3)[C@H](C)C2)[nH+]1 ZINC000096421135 402082464 /nfs/dbraw/zinc/08/24/64/402082464.db2.gz VSIAKRANLXHSTH-SJORKVTESA-N 2 2 319.449 2.096 50 0 DEAALP Cc1cccc(N2CC[N@@H+](CCOC[C@@H]3CCCO3)[C@H](C)C2)[nH+]1 ZINC000096421135 402082467 /nfs/dbraw/zinc/08/24/67/402082467.db2.gz VSIAKRANLXHSTH-SJORKVTESA-N 2 2 319.449 2.096 50 0 DEAALP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069434171 402223605 /nfs/dbraw/zinc/22/36/05/402223605.db2.gz CGZPDVQMKHAYJQ-JKSUJKDBSA-N 2 2 312.417 2.088 50 0 DEAALP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000069434171 402223607 /nfs/dbraw/zinc/22/36/07/402223607.db2.gz CGZPDVQMKHAYJQ-JKSUJKDBSA-N 2 2 312.417 2.088 50 0 DEAALP Cc1cc[nH+]c(N2CC[NH+](CCO[C@@H]3CCCCO3)CC2)c1 ZINC000225530394 402320489 /nfs/dbraw/zinc/32/04/89/402320489.db2.gz FAWZWQTZPWSLLM-QGZVFWFLSA-N 2 2 305.422 2.055 50 0 DEAALP Cc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C)c1 ZINC000177118530 402371534 /nfs/dbraw/zinc/37/15/34/402371534.db2.gz ZUHINPLFBNHIQD-UHFFFAOYSA-N 2 2 303.450 2.059 50 0 DEAALP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccon2)CC3)no1 ZINC000253419072 402664885 /nfs/dbraw/zinc/66/48/85/402664885.db2.gz HYMCCZODQZFSLQ-UHFFFAOYSA-N 2 2 302.378 2.151 50 0 DEAALP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccon2)CC3)no1 ZINC000253419072 402664887 /nfs/dbraw/zinc/66/48/87/402664887.db2.gz HYMCCZODQZFSLQ-UHFFFAOYSA-N 2 2 302.378 2.151 50 0 DEAALP CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000534644253 334306558 /nfs/dbraw/zinc/30/65/58/334306558.db2.gz LSYNCRKLAKOJAG-UHFFFAOYSA-N 2 2 307.442 2.203 50 0 DEAALP OCC1CC[NH+](Cc2ccccc2NCc2[nH]cc[nH+]2)CC1 ZINC000086257927 192558062 /nfs/dbraw/zinc/55/80/62/192558062.db2.gz CJDIKEFLCPDUFF-UHFFFAOYSA-N 2 2 300.406 2.226 50 0 DEAALP COc1cccc(-n2cc(C[NH2+]C3CC[NH+](C)CC3)cn2)c1 ZINC000584885613 357325389 /nfs/dbraw/zinc/32/53/89/357325389.db2.gz AKNZKEHUTMKGRF-UHFFFAOYSA-N 2 2 300.406 2.065 50 0 DEAALP CN1C(=O)CCc2cc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)ccc21 ZINC000188412206 200241917 /nfs/dbraw/zinc/24/19/17/200241917.db2.gz CYRYHDQUOBJXQE-KRWDZBQOSA-N 2 2 324.428 2.457 50 0 DEAALP CN1C(=O)CCc2cc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)ccc21 ZINC000188412206 200241919 /nfs/dbraw/zinc/24/19/19/200241919.db2.gz CYRYHDQUOBJXQE-KRWDZBQOSA-N 2 2 324.428 2.457 50 0 DEAALP CN(Cc1c[nH+]c2ccccn12)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000091691285 193092453 /nfs/dbraw/zinc/09/24/53/193092453.db2.gz YGKWZQVGTUOSEI-HNNXBMFYSA-N 2 2 300.406 2.167 50 0 DEAALP CN(Cc1c[nH+]c2ccccn12)C(=O)[C@@H]1CCCCC[N@H+]1C ZINC000091691285 193092455 /nfs/dbraw/zinc/09/24/55/193092455.db2.gz YGKWZQVGTUOSEI-HNNXBMFYSA-N 2 2 300.406 2.167 50 0 DEAALP Cc1cccc(OCC[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000020998419 182257918 /nfs/dbraw/zinc/25/79/18/182257918.db2.gz HKHVVVWQXJIQJA-UHFFFAOYSA-N 2 2 304.434 2.170 50 0 DEAALP Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CN2 ZINC000058299948 184102804 /nfs/dbraw/zinc/10/28/04/184102804.db2.gz TVMDSIFGGFPVKA-INIZCTEOSA-N 2 2 322.416 2.209 50 0 DEAALP O=c1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc3c2n1CCC3 ZINC000065451671 184346562 /nfs/dbraw/zinc/34/65/62/184346562.db2.gz ORPIFKUQNDRRKJ-SJORKVTESA-N 2 2 323.440 2.274 50 0 DEAALP O=c1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc3c2n1CCC3 ZINC000065451671 184346564 /nfs/dbraw/zinc/34/65/64/184346564.db2.gz ORPIFKUQNDRRKJ-SJORKVTESA-N 2 2 323.440 2.274 50 0 DEAALP C[N@H+](CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1)Cc1ccccc1 ZINC000065543007 184364009 /nfs/dbraw/zinc/36/40/09/184364009.db2.gz ZJNDTXVXDLANKF-UHFFFAOYSA-N 2 2 321.384 2.338 50 0 DEAALP C[N@@H+](CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1)Cc1ccccc1 ZINC000065543007 184364010 /nfs/dbraw/zinc/36/40/10/184364010.db2.gz ZJNDTXVXDLANKF-UHFFFAOYSA-N 2 2 321.384 2.338 50 0 DEAALP Cn1c(C[NH+]2CCCCC2)nnc1C1CC[NH+](CC2CC2)CC1 ZINC000077303112 401809439 /nfs/dbraw/zinc/80/94/39/401809439.db2.gz QGGKXSDGMMDOSH-UHFFFAOYSA-N 2 2 317.481 2.390 50 0 DEAALP COc1cc(C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)ccc1F ZINC000077470437 401816568 /nfs/dbraw/zinc/81/65/68/401816568.db2.gz WPNVGUOMWHEWDN-SFHVURJKSA-N 2 2 322.424 2.257 50 0 DEAALP COc1cc(C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)ccc1F ZINC000077470437 401816571 /nfs/dbraw/zinc/81/65/71/401816571.db2.gz WPNVGUOMWHEWDN-SFHVURJKSA-N 2 2 322.424 2.257 50 0 DEAALP Cc1cc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC000084114390 401902399 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CCOCC[N@H+]1CCN(C(=O)Nc2cc[nH+]cc2C)C[C@@H]1CC ZINC000097104134 402107520 /nfs/dbraw/zinc/10/75/20/402107520.db2.gz PZHPQXVNNPYSNE-HNNXBMFYSA-N 2 2 320.437 2.355 50 0 DEAALP CC(C)c1[nH+]c2ccccc2n1CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000067756173 402171935 /nfs/dbraw/zinc/17/19/35/402171935.db2.gz NRKPDPHFOKKTJB-CQSZACIVSA-N 2 2 314.433 2.228 50 0 DEAALP CC(C)c1[nH+]c2ccccc2n1CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000067756173 402171939 /nfs/dbraw/zinc/17/19/39/402171939.db2.gz NRKPDPHFOKKTJB-CQSZACIVSA-N 2 2 314.433 2.228 50 0 DEAALP CO[C@H]1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)C1 ZINC000214950025 402279596 /nfs/dbraw/zinc/27/95/96/402279596.db2.gz QDOSVOFIQHBDTD-KRWDZBQOSA-N 2 2 301.390 2.183 50 0 DEAALP CO[C@H]1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)C1 ZINC000214950025 402279597 /nfs/dbraw/zinc/27/95/97/402279597.db2.gz QDOSVOFIQHBDTD-KRWDZBQOSA-N 2 2 301.390 2.183 50 0 DEAALP C[N@@H+]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000215539234 402284160 /nfs/dbraw/zinc/28/41/60/402284160.db2.gz 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CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)C12CCC2 ZINC000405218748 802044310 /nfs/dbraw/zinc/04/43/10/802044310.db2.gz LNSXFBSFLRMHGC-KBPBESRZSA-N 2 2 320.437 2.309 50 0 DEAALP C[NH+](C)CCn1cc[nH+]c1[C@H]1CCCN(c2ncccc2F)C1 ZINC000095508605 185375946 /nfs/dbraw/zinc/37/59/46/185375946.db2.gz DFNJMFDJEWFOOP-AWEZNQCLSA-N 2 2 317.412 2.363 50 0 DEAALP CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000089949137 185271213 /nfs/dbraw/zinc/27/12/13/185271213.db2.gz NQFJFVJWFBSNJH-WBVHZDCISA-N 2 2 314.433 2.379 50 0 DEAALP c1ccc2[nH+]c(NC[C@]3([NH+]4CCOCC4)CCSC3)[nH]c2c1 ZINC000095447140 185367782 /nfs/dbraw/zinc/36/77/82/185367782.db2.gz HNEOUNVTWJBIGK-MRXNPFEDSA-N 2 2 318.446 2.183 50 0 DEAALP CCC[NH+]1CCC([NH+]2CCN(c3nc(C)cnc3C)CC2)CC1 ZINC000195563830 356258261 /nfs/dbraw/zinc/25/82/61/356258261.db2.gz LHLHQJOIMLFASB-UHFFFAOYSA-N 2 2 317.481 2.090 50 0 DEAALP C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1C[NH3+] ZINC000237433891 202264035 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COc1ccc(F)c(C[N@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c1 ZINC000091551027 193072351 /nfs/dbraw/zinc/07/23/51/193072351.db2.gz TWXIVDZHHWQKQY-KDOFPFPSSA-N 2 2 324.440 2.359 50 0 DEAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000019371575 182120315 /nfs/dbraw/zinc/12/03/15/182120315.db2.gz XLADGMJAOJTUKK-SJORKVTESA-N 2 2 306.450 2.117 50 0 DEAALP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000019371575 182120316 /nfs/dbraw/zinc/12/03/16/182120316.db2.gz XLADGMJAOJTUKK-SJORKVTESA-N 2 2 306.450 2.117 50 0 DEAALP C[NH2+]C[C@@H]1CCCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493633882 249346083 /nfs/dbraw/zinc/34/60/83/249346083.db2.gz RNAWCFCGEJVUMT-SKHCZCESSA-N 2 2 310.401 2.096 50 0 DEAALP O=C(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000065394813 184334494 /nfs/dbraw/zinc/33/44/94/184334494.db2.gz VLANEXHJJKIELP-SFHVURJKSA-N 2 2 324.428 2.274 50 0 DEAALP O=C(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000065394813 184334495 /nfs/dbraw/zinc/33/44/95/184334495.db2.gz VLANEXHJJKIELP-SFHVURJKSA-N 2 2 324.428 2.274 50 0 DEAALP O=c1cc(C[N@@H+]2CCc3[nH+]c[nH]c3C2)c2cccc3c2n1CCC3 ZINC000097393935 285217930 /nfs/dbraw/zinc/21/79/30/285217930.db2.gz ZOZOIQLEWKLZPF-UHFFFAOYSA-N 2 2 320.396 2.229 50 0 DEAALP O=c1cc(C[N@H+]2CCc3[nH+]c[nH]c3C2)c2cccc3c2n1CCC3 ZINC000097393935 285217931 /nfs/dbraw/zinc/21/79/31/285217931.db2.gz ZOZOIQLEWKLZPF-UHFFFAOYSA-N 2 2 320.396 2.229 50 0 DEAALP CC[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000077321525 401810446 /nfs/dbraw/zinc/81/04/46/401810446.db2.gz VDEFLLQPRZCIKZ-UHFFFAOYSA-N 2 2 303.454 2.408 50 0 DEAALP O=C(C[NH+]1CCCCCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077505786 401818079 /nfs/dbraw/zinc/81/80/79/401818079.db2.gz CVTGSSIRCVAMJN-HNNXBMFYSA-N 2 2 304.438 2.382 50 0 DEAALP O=C(C[NH+]1CCCCCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077505785 401818143 /nfs/dbraw/zinc/81/81/43/401818143.db2.gz CVTGSSIRCVAMJN-OAHLLOKOSA-N 2 2 304.438 2.382 50 0 DEAALP 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MWMPIJVQWSBPSO-INIZCTEOSA-N 2 2 312.417 2.239 50 0 DEAALP Cc1cccn2c(=O)cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)nc12 ZINC000095955983 402036761 /nfs/dbraw/zinc/03/67/61/402036761.db2.gz VXQGHMDCTRHVIT-UHFFFAOYSA-N 2 2 323.400 2.037 50 0 DEAALP CCN(CC)c1[nH+]cccc1CNC(=O)[C@@H](C)n1cc[nH+]c1C ZINC000067934151 402179254 /nfs/dbraw/zinc/17/92/54/402179254.db2.gz KCWOAUODQKAHOH-CYBMUJFWSA-N 2 2 315.421 2.310 50 0 DEAALP Cc1nc(NCc2c[nH+]cn2C2CC2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000067843466 402174961 /nfs/dbraw/zinc/17/49/61/402174961.db2.gz XHGFIXVKTGSKIZ-CYBMUJFWSA-N 2 2 312.421 2.396 50 0 DEAALP C[N@H+](CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)Cc1ccccc1 ZINC000071796448 402278190 /nfs/dbraw/zinc/27/81/90/402278190.db2.gz IGVPYPPJLRSVNE-QGZVFWFLSA-N 2 2 312.417 2.179 50 0 DEAALP C[N@@H+](CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)Cc1ccccc1 ZINC000071796448 402278194 /nfs/dbraw/zinc/27/81/94/402278194.db2.gz IGVPYPPJLRSVNE-QGZVFWFLSA-N 2 2 312.417 2.179 50 0 DEAALP Nc1nc(N2CCC(c3ccncc3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244831553 402450114 /nfs/dbraw/zinc/45/01/14/402450114.db2.gz UFWTUWXTSUSDGO-GASCZTMLSA-N 2 2 324.432 2.043 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)[nH+]1 ZINC000215930793 333387554 /nfs/dbraw/zinc/38/75/54/333387554.db2.gz GFTPLPMIRKHZJR-AWEZNQCLSA-N 2 2 316.405 2.182 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccco3)C2)[nH+]1 ZINC000215930793 333387555 /nfs/dbraw/zinc/38/75/55/333387555.db2.gz GFTPLPMIRKHZJR-AWEZNQCLSA-N 2 2 316.405 2.182 50 0 DEAALP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000132012282 337383194 /nfs/dbraw/zinc/38/31/94/337383194.db2.gz IVOBDYOJOJQKIS-QGZVFWFLSA-N 2 2 302.422 2.384 50 0 DEAALP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000132012282 337383195 /nfs/dbraw/zinc/38/31/95/337383195.db2.gz IVOBDYOJOJQKIS-QGZVFWFLSA-N 2 2 302.422 2.384 50 0 DEAALP Cc1cccc(CNC(=O)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000408522964 534713140 /nfs/dbraw/zinc/71/31/40/534713140.db2.gz FOKNYRZEXLGAAW-LJQANCHMSA-N 2 2 315.461 2.029 50 0 DEAALP Cc1cccc(CNC(=O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000408522964 534713148 /nfs/dbraw/zinc/71/31/48/534713148.db2.gz FOKNYRZEXLGAAW-LJQANCHMSA-N 2 2 315.461 2.029 50 0 DEAALP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000408522964 534713153 /nfs/dbraw/zinc/71/31/53/534713153.db2.gz FOKNYRZEXLGAAW-LJQANCHMSA-N 2 2 315.461 2.029 50 0 DEAALP Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000408522964 534713161 /nfs/dbraw/zinc/71/31/61/534713161.db2.gz FOKNYRZEXLGAAW-LJQANCHMSA-N 2 2 315.461 2.029 50 0 DEAALP c1cn(CCC[NH+]2CCN(c3ncnc4ccccc43)CC2)c[nH+]1 ZINC001506426971 1061971979 /nfs/dbraw/zinc/97/19/79/1061971979.db2.gz QVIDLJMMCUWHEZ-UHFFFAOYSA-N 2 2 322.416 2.039 50 0 DEAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCSC2)C1 ZINC000088738916 185263573 /nfs/dbraw/zinc/26/35/73/185263573.db2.gz YPMFMGUBLZJKFP-HYVNUMGLSA-N 2 2 306.475 2.280 50 0 DEAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCSC2)C1 ZINC000088738916 185263574 /nfs/dbraw/zinc/26/35/74/185263574.db2.gz YPMFMGUBLZJKFP-HYVNUMGLSA-N 2 2 306.475 2.280 50 0 DEAALP CCn1cc[nH+]c1CN(Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000072150866 191055584 /nfs/dbraw/zinc/05/55/84/191055584.db2.gz DQHCBGBNAXWCNU-UHFFFAOYSA-N 2 2 313.449 2.394 50 0 DEAALP Cn1c(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc2ccccc21 ZINC000072427066 191162130 /nfs/dbraw/zinc/16/21/30/191162130.db2.gz CIWVRKNLGNJPBH-SFHVURJKSA-N 2 2 301.434 2.067 50 0 DEAALP Cn1c(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc2ccccc21 ZINC000072427066 191162132 /nfs/dbraw/zinc/16/21/32/191162132.db2.gz CIWVRKNLGNJPBH-SFHVURJKSA-N 2 2 301.434 2.067 50 0 DEAALP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000003338923 181008319 /nfs/dbraw/zinc/00/83/19/181008319.db2.gz KHKKKTQEVMUUSV-SNVBAGLBSA-N 2 2 301.793 2.347 50 0 DEAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+]C1CCN(c3nccs3)CC1)C2 ZINC000097237309 355704084 /nfs/dbraw/zinc/70/40/84/355704084.db2.gz PDUKSKVBHDWSBL-AWEZNQCLSA-N 2 2 317.462 2.221 50 0 DEAALP Cc1[nH+]ccn1CCC1CCN(c2cc(N)[nH+]c(C)n2)CC1 ZINC000091391138 193049225 /nfs/dbraw/zinc/04/92/25/193049225.db2.gz VIOHMHSQZUNWEE-UHFFFAOYSA-N 2 2 300.410 2.179 50 0 DEAALP Cc1[nH+]ccn1CCC1CCN(c2cc(N)nc(C)[nH+]2)CC1 ZINC000091391138 193049227 /nfs/dbraw/zinc/04/92/27/193049227.db2.gz VIOHMHSQZUNWEE-UHFFFAOYSA-N 2 2 300.410 2.179 50 0 DEAALP COCCn1cc[nH+]c1C1CC[NH+](Cc2ccccn2)CC1 ZINC000091593053 193076301 /nfs/dbraw/zinc/07/63/01/193076301.db2.gz BGHRWAVYYMUNLM-UHFFFAOYSA-N 2 2 300.406 2.304 50 0 DEAALP CCc1ccc(CN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cc1 ZINC000219226069 201550470 /nfs/dbraw/zinc/55/04/70/201550470.db2.gz NFVJLFJXXDODQG-UHFFFAOYSA-N 2 2 311.433 2.462 50 0 DEAALP Nc1[nH+]cccc1CNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095372801 193435963 /nfs/dbraw/zinc/43/59/63/193435963.db2.gz XCWYHHHHJFYHRH-OAHLLOKOSA-N 2 2 310.401 2.061 50 0 DEAALP CC(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(-c2ccco2)no1 ZINC000065385293 184333128 /nfs/dbraw/zinc/33/31/28/184333128.db2.gz QVTOUKGFAWFFBR-LBPRGKRZSA-N 2 2 301.350 2.341 50 0 DEAALP Cc1ccc[nH+]c1C[C@H](C)Nc1nc(C)nc2c1CC[NH2+]CC2 ZINC000065535085 184362217 /nfs/dbraw/zinc/36/22/17/184362217.db2.gz BSXWTGGVUXZOLM-ZDUSSCGKSA-N 2 2 311.433 2.220 50 0 DEAALP Nc1cc(N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)nc[nH+]1 ZINC000072476164 401709695 /nfs/dbraw/zinc/70/96/95/401709695.db2.gz OIXMLYNWXIOSNT-HNNXBMFYSA-N 2 2 309.417 2.103 50 0 DEAALP Nc1cc(N[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)nc[nH+]1 ZINC000072476164 401709699 /nfs/dbraw/zinc/70/96/99/401709699.db2.gz OIXMLYNWXIOSNT-HNNXBMFYSA-N 2 2 309.417 2.103 50 0 DEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000215602291 402284139 /nfs/dbraw/zinc/28/41/39/402284139.db2.gz AEDLITPXHFPJFD-OAHLLOKOSA-N 2 2 322.416 2.380 50 0 DEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000215602291 402284140 /nfs/dbraw/zinc/28/41/40/402284140.db2.gz AEDLITPXHFPJFD-OAHLLOKOSA-N 2 2 322.416 2.380 50 0 DEAALP CCc1[nH+]ccn1CCNC(=O)[C@@H](c1ccccc1F)[NH+](C)C ZINC000222453273 402307308 /nfs/dbraw/zinc/30/73/08/402307308.db2.gz YWRLVZHBFGGOTH-MRXNPFEDSA-N 2 2 318.396 2.004 50 0 DEAALP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)CCCO2 ZINC000170079684 402502929 /nfs/dbraw/zinc/50/29/29/402502929.db2.gz BUQSFMSFEFMSLP-FUHWJXTLSA-N 2 2 304.434 2.173 50 0 DEAALP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)CCCO2 ZINC000170079684 402502932 /nfs/dbraw/zinc/50/29/32/402502932.db2.gz BUQSFMSFEFMSLP-FUHWJXTLSA-N 2 2 304.434 2.173 50 0 DEAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000170590945 402505901 /nfs/dbraw/zinc/50/59/01/402505901.db2.gz QKBJVCWXVYUXCG-GFCCVEGCSA-N 2 2 301.394 2.135 50 0 DEAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000170590945 402505904 /nfs/dbraw/zinc/50/59/04/402505904.db2.gz QKBJVCWXVYUXCG-GFCCVEGCSA-N 2 2 301.394 2.135 50 0 DEAALP CCc1[nH+]ccn1CCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000299761849 403568057 /nfs/dbraw/zinc/56/80/57/403568057.db2.gz AWFPDVLMKHXVEH-UHFFFAOYSA-N 2 2 311.389 2.108 50 0 DEAALP CCc1[nH+]ccn1C[C@@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC001506406810 1061947752 /nfs/dbraw/zinc/94/77/52/1061947752.db2.gz JMPDQYIOICWREF-OAHLLOKOSA-N 2 2 314.433 2.362 50 0 DEAALP CC[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000822635807 1090641753 /nfs/dbraw/zinc/64/17/53/1090641753.db2.gz FPBHZBJZRAANEZ-AWEZNQCLSA-N 2 2 316.405 2.281 50 0 DEAALP CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000095522755 185377351 /nfs/dbraw/zinc/37/73/51/185377351.db2.gz UZTUQKJHPCTVTI-OAHLLOKOSA-N 2 2 318.465 2.483 50 0 DEAALP CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCCC2)C1 ZINC000095522755 185377352 /nfs/dbraw/zinc/37/73/52/185377352.db2.gz UZTUQKJHPCTVTI-OAHLLOKOSA-N 2 2 318.465 2.483 50 0 DEAALP NC(=O)Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000095528329 185378625 /nfs/dbraw/zinc/37/86/25/185378625.db2.gz DGNAGJFKFRFRFE-IOMDMTNGSA-N 2 2 324.428 2.261 50 0 DEAALP NC(=O)Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000095528329 185378626 /nfs/dbraw/zinc/37/86/26/185378626.db2.gz DGNAGJFKFRFRFE-IOMDMTNGSA-N 2 2 324.428 2.261 50 0 DEAALP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000221947264 539728374 /nfs/dbraw/zinc/72/83/74/539728374.db2.gz SMZPHJMOQPFCLU-HZPDHXFCSA-N 2 2 315.417 2.337 50 0 DEAALP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000221947264 539728380 /nfs/dbraw/zinc/72/83/80/539728380.db2.gz SMZPHJMOQPFCLU-HZPDHXFCSA-N 2 2 315.417 2.337 50 0 DEAALP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000225597705 186281689 /nfs/dbraw/zinc/28/16/89/186281689.db2.gz SNASJEHZJYDJGB-HNNXBMFYSA-N 2 2 312.421 2.472 50 0 DEAALP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000225597705 186281691 /nfs/dbraw/zinc/28/16/91/186281691.db2.gz SNASJEHZJYDJGB-HNNXBMFYSA-N 2 2 312.421 2.472 50 0 DEAALP CC(C)[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072473785 191177118 /nfs/dbraw/zinc/17/71/18/191177118.db2.gz WFCRSCVWSDLMOI-OAHLLOKOSA-N 2 2 305.470 2.389 50 0 DEAALP CC(C)[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072473785 191177120 /nfs/dbraw/zinc/17/71/20/191177120.db2.gz WFCRSCVWSDLMOI-OAHLLOKOSA-N 2 2 305.470 2.389 50 0 DEAALP Cc1noc(CC[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)n1 ZINC000097095424 355701064 /nfs/dbraw/zinc/70/10/64/355701064.db2.gz AUKORDGPVITEPL-WMLDXEAASA-N 2 2 314.433 2.421 50 0 DEAALP Cc1noc(CC[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000097095424 355701066 /nfs/dbraw/zinc/70/10/66/355701066.db2.gz AUKORDGPVITEPL-WMLDXEAASA-N 2 2 314.433 2.421 50 0 DEAALP Cn1c2ccccc2[nH+]c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179299320 199011870 /nfs/dbraw/zinc/01/18/70/199011870.db2.gz KGOFLZWRZBRBRK-AWEZNQCLSA-N 2 2 314.433 2.486 50 0 DEAALP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000237435779 202265610 /nfs/dbraw/zinc/26/56/10/202265610.db2.gz GLAHAMKSUKIXJA-DZGCQCFKSA-N 2 2 304.434 2.461 50 0 DEAALP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000237435779 202265615 /nfs/dbraw/zinc/26/56/15/202265615.db2.gz GLAHAMKSUKIXJA-DZGCQCFKSA-N 2 2 304.434 2.461 50 0 DEAALP Cc1cccc(N2CC[N@H+](CCOC[C@@H]3CCCO3)[C@@H](C)C2)[nH+]1 ZINC000110617910 194343199 /nfs/dbraw/zinc/34/31/99/194343199.db2.gz VSIAKRANLXHSTH-IRXDYDNUSA-N 2 2 319.449 2.096 50 0 DEAALP Cc1cccc(N2CC[N@@H+](CCOC[C@@H]3CCCO3)[C@@H](C)C2)[nH+]1 ZINC000110617910 194343201 /nfs/dbraw/zinc/34/32/01/194343201.db2.gz VSIAKRANLXHSTH-IRXDYDNUSA-N 2 2 319.449 2.096 50 0 DEAALP Cc1ccc2[nH+]c(CNC(=O)C[N@@H+](C)Cc3ccccc3)cn2c1 ZINC000058245670 184094299 /nfs/dbraw/zinc/09/42/99/184094299.db2.gz UVFIKWBLLIUAHC-UHFFFAOYSA-N 2 2 322.412 2.391 50 0 DEAALP Cc1ccc2[nH+]c(CNC(=O)C[N@H+](C)Cc3ccccc3)cn2c1 ZINC000058245670 184094301 /nfs/dbraw/zinc/09/43/01/184094301.db2.gz UVFIKWBLLIUAHC-UHFFFAOYSA-N 2 2 322.412 2.391 50 0 DEAALP C[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccc(O)c1)[NH2+][C@]2(CO)c1ccccc1 ZINC000065383288 184332919 /nfs/dbraw/zinc/33/29/19/184332919.db2.gz ITASNADQIJAQOS-IYWMVGAKSA-N 2 2 324.424 2.102 50 0 DEAALP C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccc(O)c1)[NH2+][C@]2(CO)c1ccccc1 ZINC000065383288 184332921 /nfs/dbraw/zinc/33/29/21/184332921.db2.gz ITASNADQIJAQOS-IYWMVGAKSA-N 2 2 324.424 2.102 50 0 DEAALP c1cc2c(nc[nH+]c2N2CC[NH+](CCOc3ccccc3)CC2)[nH]1 ZINC000077504615 401817572 /nfs/dbraw/zinc/81/75/72/401817572.db2.gz HVTCPOGXTRNZRB-UHFFFAOYSA-N 2 2 323.400 2.159 50 0 DEAALP c1cnc(N2CC[NH+](CCCc3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000019774024 401823255 /nfs/dbraw/zinc/82/32/55/401823255.db2.gz NWOIAHOSWCFUCI-UHFFFAOYSA-N 2 2 322.416 2.108 50 0 DEAALP COc1cc2c(cc1C[NH2+][C@H](C)Cn1cc[nH+]c1)O[C@@H](C)C2 ZINC000030909794 401867130 /nfs/dbraw/zinc/86/71/30/401867130.db2.gz OGILDRROQKYULC-OLZOCXBDSA-N 2 2 301.390 2.393 50 0 DEAALP CNC(=O)c1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000089702120 401958000 /nfs/dbraw/zinc/95/80/00/401958000.db2.gz GFNACPUGTHWKQB-INIZCTEOSA-N 2 2 312.417 2.218 50 0 DEAALP CCn1cc[nH+]c1CN(C)C(=O)[C@@H](c1ccccc1C)[NH+](C)C ZINC000095392377 402031741 /nfs/dbraw/zinc/03/17/41/402031741.db2.gz PSAFVSLMRLNDDL-QGZVFWFLSA-N 2 2 314.433 2.473 50 0 DEAALP CC1CC[NH+](C[C@H](O)COc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000095974937 402039915 /nfs/dbraw/zinc/03/99/15/402039915.db2.gz XEQDENHFZZQZAV-KRWDZBQOSA-N 2 2 315.417 2.344 50 0 DEAALP CCOC(=O)c1ccc(C[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)o1 ZINC000097034404 402100651 /nfs/dbraw/zinc/10/06/51/402100651.db2.gz FVGBXYIRKZGVEQ-LBPRGKRZSA-N 2 2 303.362 2.066 50 0 DEAALP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CC2CCCCCC2)CC1 ZINC000097140496 402110573 /nfs/dbraw/zinc/11/05/73/402110573.db2.gz BEJCTTZCKBPZNS-QGZVFWFLSA-N 2 2 307.482 2.371 50 0 DEAALP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CC2CCCCCC2)CC1 ZINC000097140496 402110575 /nfs/dbraw/zinc/11/05/75/402110575.db2.gz BEJCTTZCKBPZNS-QGZVFWFLSA-N 2 2 307.482 2.371 50 0 DEAALP COc1ccc(CC[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000066561724 402135756 /nfs/dbraw/zinc/13/57/56/402135756.db2.gz QDUXBZGDRKZUFN-INIZCTEOSA-N 2 2 318.461 2.423 50 0 DEAALP COc1ccc(CC[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000066561724 402135759 /nfs/dbraw/zinc/13/57/59/402135759.db2.gz QDUXBZGDRKZUFN-INIZCTEOSA-N 2 2 318.461 2.423 50 0 DEAALP Cc1cc(C(F)(F)F)nc(CC[NH2+][C@H](C)Cn2cc[nH+]c2)n1 ZINC000067756579 402171900 /nfs/dbraw/zinc/17/19/00/402171900.db2.gz GJLITIDAHLDKSE-LLVKDONJSA-N 2 2 313.327 2.221 50 0 DEAALP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000158186462 402303560 /nfs/dbraw/zinc/30/35/60/402303560.db2.gz BXHRHPMTANVJQC-GFCCVEGCSA-N 2 2 300.406 2.109 50 0 DEAALP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)[nH+]1 ZINC000222204009 402306225 /nfs/dbraw/zinc/30/62/25/402306225.db2.gz CLQNDHVYZSGOKI-MAUKXSAKSA-N 2 2 324.428 2.350 50 0 DEAALP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)[nH+]1 ZINC000222204009 402306227 /nfs/dbraw/zinc/30/62/27/402306227.db2.gz CLQNDHVYZSGOKI-MAUKXSAKSA-N 2 2 324.428 2.350 50 0 DEAALP CCN(Cc1[nH+]ccn1C)C(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000223114376 402309618 /nfs/dbraw/zinc/30/96/18/402309618.db2.gz VGPZHYCVBJSNFJ-KRWDZBQOSA-N 2 2 314.433 2.380 50 0 DEAALP C[C@@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000253392384 402663435 /nfs/dbraw/zinc/66/34/35/402663435.db2.gz OSVKFAIGQKMJIA-ZIAGYGMSSA-N 2 2 302.426 2.313 50 0 DEAALP C[C@@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000253392384 402663437 /nfs/dbraw/zinc/66/34/37/402663437.db2.gz OSVKFAIGQKMJIA-ZIAGYGMSSA-N 2 2 302.426 2.313 50 0 DEAALP CC(C)[C@H](NC(=O)CSCC[NH+]1CCCC1)c1[nH+]ccn1C ZINC000299783004 403573088 /nfs/dbraw/zinc/57/30/88/403573088.db2.gz GODHJNKUDMKFTM-HNNXBMFYSA-N 2 2 324.494 2.062 50 0 DEAALP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000585118166 405870166 /nfs/dbraw/zinc/87/01/66/405870166.db2.gz FCDBUISZAJFFST-AWEZNQCLSA-N 2 2 324.494 2.195 50 0 DEAALP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CCO1 ZINC000534578711 334288756 /nfs/dbraw/zinc/28/87/56/334288756.db2.gz YOXOETXATHNONE-LLVKDONJSA-N 2 2 306.303 2.394 50 0 DEAALP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)CCO1 ZINC000534578711 334288758 /nfs/dbraw/zinc/28/87/58/334288758.db2.gz YOXOETXATHNONE-LLVKDONJSA-N 2 2 306.303 2.394 50 0 DEAALP FC(F)(F)Cc1noc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000331885252 534395914 /nfs/dbraw/zinc/39/59/14/534395914.db2.gz GWBSUGWHTHLJBD-UHFFFAOYSA-N 2 2 315.299 2.277 50 0 DEAALP CC(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000581801315 784780930 /nfs/dbraw/zinc/78/09/30/784780930.db2.gz MHVHVIWOPJKQSR-QZTJIDSGSA-N 2 2 317.477 2.211 50 0 DEAALP CC(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000581801315 784780937 /nfs/dbraw/zinc/78/09/37/784780937.db2.gz MHVHVIWOPJKQSR-QZTJIDSGSA-N 2 2 317.477 2.211 50 0 DEAALP CCCCn1cc[nH+]c1[C@H]1CCCN(c2cc(N)[nH+]c(N)n2)C1 ZINC000095391187 185351435 /nfs/dbraw/zinc/35/14/35/185351435.db2.gz YGZZZEWGWIEUQF-LBPRGKRZSA-N 2 2 315.425 2.022 50 0 DEAALP CCCCn1cc[nH+]c1[C@H]1CCCN(c2cc(N)nc(N)[nH+]2)C1 ZINC000095391187 185351436 /nfs/dbraw/zinc/35/14/36/185351436.db2.gz YGZZZEWGWIEUQF-LBPRGKRZSA-N 2 2 315.425 2.022 50 0 DEAALP O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221946622 539728566 /nfs/dbraw/zinc/72/85/66/539728566.db2.gz KZNICRHYGRPNPP-ZIAGYGMSSA-N 2 2 321.446 2.228 50 0 DEAALP O[C@@H](COCc1cccs1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221946622 539728569 /nfs/dbraw/zinc/72/85/69/539728569.db2.gz KZNICRHYGRPNPP-ZIAGYGMSSA-N 2 2 321.446 2.228 50 0 DEAALP Cc1ccc(F)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000072313313 191120202 /nfs/dbraw/zinc/12/02/02/191120202.db2.gz PBMHEZQMGOMXFP-UHFFFAOYSA-N 2 2 322.428 2.282 50 0 DEAALP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000257365246 356338824 /nfs/dbraw/zinc/33/88/24/356338824.db2.gz KREBRVUSFIZFIY-RDJZCZTQSA-N 2 2 312.417 2.007 50 0 DEAALP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000257365246 356338825 /nfs/dbraw/zinc/33/88/25/356338825.db2.gz KREBRVUSFIZFIY-RDJZCZTQSA-N 2 2 312.417 2.007 50 0 DEAALP CCOC(=O)N1CC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC000584891781 357326909 /nfs/dbraw/zinc/32/69/09/357326909.db2.gz UACHMLWABQDQMF-CQSZACIVSA-N 2 2 319.405 2.156 50 0 DEAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1nc(-c2ccccn2)no1 ZINC000584891405 357326998 /nfs/dbraw/zinc/32/69/98/357326998.db2.gz PKZKKUFUCFCEMU-LBPRGKRZSA-N 2 2 312.377 2.069 50 0 DEAALP C[N@H+](CC(=O)NCc1ccc2sccc2c1)C1CC[NH2+]CC1 ZINC000670464058 540937384 /nfs/dbraw/zinc/93/73/84/540937384.db2.gz WGIKPTZMELSJLH-UHFFFAOYSA-N 2 2 317.458 2.201 50 0 DEAALP C[N@@H+](CC(=O)NCc1ccc2sccc2c1)C1CC[NH2+]CC1 ZINC000670464058 540937386 /nfs/dbraw/zinc/93/73/86/540937386.db2.gz WGIKPTZMELSJLH-UHFFFAOYSA-N 2 2 317.458 2.201 50 0 DEAALP COCCn1cc[nH+]c1C1CC[NH+](Cc2cscn2)CC1 ZINC000091746066 193100448 /nfs/dbraw/zinc/10/04/48/193100448.db2.gz LQZQSYCJBKULRB-UHFFFAOYSA-N 2 2 306.435 2.366 50 0 DEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](CC(C)(C)C)C1 ZINC000091769990 193105433 /nfs/dbraw/zinc/10/54/33/193105433.db2.gz KTVNVLSWUDMAMU-CQSZACIVSA-N 2 2 316.453 2.285 50 0 DEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](CC(C)(C)C)C1 ZINC000091769990 193105435 /nfs/dbraw/zinc/10/54/35/193105435.db2.gz KTVNVLSWUDMAMU-CQSZACIVSA-N 2 2 316.453 2.285 50 0 DEAALP COc1ccc(C[N@H+](C)CCn2cc[nH+]c2)c(OC)c1OC ZINC000020236255 182199641 /nfs/dbraw/zinc/19/96/41/182199641.db2.gz ZBCIPNKEZWYLPH-UHFFFAOYSA-N 2 2 305.378 2.041 50 0 DEAALP COc1ccc(C[N@@H+](C)CCn2cc[nH+]c2)c(OC)c1OC ZINC000020236255 182199642 /nfs/dbraw/zinc/19/96/42/182199642.db2.gz ZBCIPNKEZWYLPH-UHFFFAOYSA-N 2 2 305.378 2.041 50 0 DEAALP O=C(C1CC1)N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000042209444 183242607 /nfs/dbraw/zinc/24/26/07/183242607.db2.gz OZYWNCKFNSQQRZ-UHFFFAOYSA-N 2 2 324.428 2.363 50 0 DEAALP CCCc1ccc(C[NH+]2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000216510027 257273611 /nfs/dbraw/zinc/27/36/11/257273611.db2.gz DXPCPCOMSDBMGR-LJQANCHMSA-N 2 2 317.477 2.444 50 0 DEAALP Cc1nc2c(c(N[C@@H](c3[nH+]ccn3C)C(C)C)n1)CC[NH2+]CC2 ZINC000072432217 401710083 /nfs/dbraw/zinc/71/00/83/401710083.db2.gz ZNJVUFVPKJYGLX-OAHLLOKOSA-N 2 2 314.437 2.016 50 0 DEAALP CC(C)CN1CC[N@H+](Cc2cc(C[NH+](C)C)cs2)[C@@H](C)C1=O ZINC000077438593 401815381 /nfs/dbraw/zinc/81/53/81/401815381.db2.gz DJJOVQZLJGFAPV-AWEZNQCLSA-N 2 2 323.506 2.498 50 0 DEAALP CC(C)CN1CC[N@@H+](Cc2cc(C[NH+](C)C)cs2)[C@@H](C)C1=O ZINC000077438593 401815382 /nfs/dbraw/zinc/81/53/82/401815382.db2.gz DJJOVQZLJGFAPV-AWEZNQCLSA-N 2 2 323.506 2.498 50 0 DEAALP O=C(NC1CC1)[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000084519369 401906260 /nfs/dbraw/zinc/90/62/60/401906260.db2.gz PKWDMPYYTJIQRQ-WBVHZDCISA-N 2 2 324.428 2.370 50 0 DEAALP CC[NH+]1CCC(CC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000095365542 402028781 /nfs/dbraw/zinc/02/87/81/402028781.db2.gz HCNHKUUYQGJSFT-MRXNPFEDSA-N 2 2 304.438 2.109 50 0 DEAALP CCc1nnc2n1C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000097199512 402115323 /nfs/dbraw/zinc/11/53/23/402115323.db2.gz ZFMUEJDXKKWTQS-OAHLLOKOSA-N 2 2 322.416 2.131 50 0 DEAALP Cc1[nH+]c(N2CCCC2)nc(N2CC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000065387416 402124159 /nfs/dbraw/zinc/12/41/59/402124159.db2.gz UGPJLHNTYBOUAW-OAHLLOKOSA-N 2 2 312.421 2.342 50 0 DEAALP CCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000069652277 402236445 /nfs/dbraw/zinc/23/64/45/402236445.db2.gz BCUBDJJORIZVKR-HNNXBMFYSA-N 2 2 322.416 2.131 50 0 DEAALP CC(C)Nc1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000215273664 402281605 /nfs/dbraw/zinc/28/16/05/402281605.db2.gz KCDFJFUYRCLKCB-UHFFFAOYSA-N 2 2 300.410 2.400 50 0 DEAALP c1cn(CCC[N@@H+](Cc2ccncc2)C[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000216163737 402287019 /nfs/dbraw/zinc/28/70/19/402287019.db2.gz UVXYBJJKXHTIDO-SFHVURJKSA-N 3 2 313.449 2.170 50 0 DEAALP c1cn(CCC[N@H+](Cc2ccncc2)C[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000216163737 402287023 /nfs/dbraw/zinc/28/70/23/402287023.db2.gz UVXYBJJKXHTIDO-SFHVURJKSA-N 3 2 313.449 2.170 50 0 DEAALP Cc1ccc(N2CCC([NH2+][C@@H]3CCN(C(C)C)C3)CC2)[nH+]c1 ZINC000163463325 402450629 /nfs/dbraw/zinc/45/06/29/402450629.db2.gz OEBJEKNOSHHKHR-QGZVFWFLSA-N 2 2 302.466 2.431 50 0 DEAALP Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C(C)C)C3)CC2)[nH+]c1 ZINC000163463325 402450630 /nfs/dbraw/zinc/45/06/30/402450630.db2.gz OEBJEKNOSHHKHR-QGZVFWFLSA-N 3 2 302.466 2.431 50 0 DEAALP Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C(C)C)C3)CC2)[nH+]c1 ZINC000163463325 402450631 /nfs/dbraw/zinc/45/06/31/402450631.db2.gz OEBJEKNOSHHKHR-QGZVFWFLSA-N 3 2 302.466 2.431 50 0 DEAALP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)CCCO2 ZINC000170079681 402503273 /nfs/dbraw/zinc/50/32/73/402503273.db2.gz BUQSFMSFEFMSLP-SJLPKXTDSA-N 2 2 304.434 2.173 50 0 DEAALP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)CCCO2 ZINC000170079681 402503277 /nfs/dbraw/zinc/50/32/77/402503277.db2.gz BUQSFMSFEFMSLP-SJLPKXTDSA-N 2 2 304.434 2.173 50 0 DEAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC000095508051 185375911 /nfs/dbraw/zinc/37/59/11/185375911.db2.gz QLHDXGDRCHRTIA-UHFFFAOYSA-N 2 2 318.465 2.475 50 0 DEAALP CN(CC1CC[NH+](Cc2ccccc2)CC1)c1cc(N)nc[nH+]1 ZINC000095524066 185377750 /nfs/dbraw/zinc/37/77/50/185377750.db2.gz IYVVGZDJOBJHMG-UHFFFAOYSA-N 2 2 311.433 2.407 50 0 DEAALP O[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000328593395 231233658 /nfs/dbraw/zinc/23/36/58/231233658.db2.gz PBPJWOCREZOGES-VQTJNVASSA-N 2 2 323.440 2.294 50 0 DEAALP CC[C@H](NC(=O)c1cc(C)ccc1OCC[NH3+])c1[nH]cc(C)[nH+]1 ZINC000426534111 529559007 /nfs/dbraw/zinc/55/90/07/529559007.db2.gz UTEDMCCOAYSESI-AWEZNQCLSA-N 2 2 316.405 2.245 50 0 DEAALP Cc1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCCn4cc[nH+]c43)C2=O)cc1 ZINC000084150604 539393052 /nfs/dbraw/zinc/39/30/52/539393052.db2.gz CPSATAICTFQLPE-NVXWUHKLSA-N 2 2 324.428 2.464 50 0 DEAALP Cc1noc(CC[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)n1 ZINC000097095425 355700839 /nfs/dbraw/zinc/70/08/39/355700839.db2.gz AUKORDGPVITEPL-YOEHRIQHSA-N 2 2 314.433 2.421 50 0 DEAALP Cc1noc(CC[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000097095425 355700842 /nfs/dbraw/zinc/70/08/42/355700842.db2.gz AUKORDGPVITEPL-YOEHRIQHSA-N 2 2 314.433 2.421 50 0 DEAALP C[NH+](C)C1(CNC(=O)C2(Cn3cc[nH+]c3)CC2)CCCCC1 ZINC000584896875 357329509 /nfs/dbraw/zinc/32/95/09/357329509.db2.gz OWYWEBYGXQIIGN-UHFFFAOYSA-N 2 2 304.438 2.044 50 0 DEAALP C[C@H](CCNC(=O)N(C)CC[NH+]1CCCCCC1)n1cc[nH+]c1 ZINC000584897323 357329814 /nfs/dbraw/zinc/32/98/14/357329814.db2.gz WFTBUQPVSRXHRA-MRXNPFEDSA-N 2 2 321.469 2.352 50 0 DEAALP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CC2CCCCCC2)CC1 ZINC000097140497 283321038 /nfs/dbraw/zinc/32/10/38/283321038.db2.gz BEJCTTZCKBPZNS-KRWDZBQOSA-N 2 2 307.482 2.371 50 0 DEAALP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CC2CCCCCC2)CC1 ZINC000097140497 283321039 /nfs/dbraw/zinc/32/10/39/283321039.db2.gz BEJCTTZCKBPZNS-KRWDZBQOSA-N 2 2 307.482 2.371 50 0 DEAALP Cc1[nH+]ccn1CCCNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000670473320 540938638 /nfs/dbraw/zinc/93/86/38/540938638.db2.gz OZVSMFSJPRNQNJ-UHFFFAOYSA-N 2 2 316.405 2.200 50 0 DEAALP C[C@@H](c1nnnn1C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000189560995 296247105 /nfs/dbraw/zinc/24/71/05/296247105.db2.gz CBXNFXDITIIMOD-GJZGRUSLSA-N 2 2 320.485 2.248 50 0 DEAALP C[C@@H](c1nnnn1C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000189560995 296247108 /nfs/dbraw/zinc/24/71/08/296247108.db2.gz CBXNFXDITIIMOD-GJZGRUSLSA-N 2 2 320.485 2.248 50 0 DEAALP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NCc2ccccc2F)CC1 ZINC000058368112 184109514 /nfs/dbraw/zinc/10/95/14/184109514.db2.gz OFMDNAAHMUYWJN-UHFFFAOYSA-N 2 2 321.440 2.247 50 0 DEAALP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccccc2F)CC1 ZINC000058368112 184109515 /nfs/dbraw/zinc/10/95/15/184109515.db2.gz OFMDNAAHMUYWJN-UHFFFAOYSA-N 2 2 321.440 2.247 50 0 DEAALP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058315968 184104782 /nfs/dbraw/zinc/10/47/82/184104782.db2.gz VGOLAJUHIJCOMU-OAHLLOKOSA-N 2 2 324.432 2.263 50 0 DEAALP CC(C)CN1CC[N@H+](Cc2cc(C[NH+](C)C)cs2)[C@H](C)C1=O ZINC000077438590 401815418 /nfs/dbraw/zinc/81/54/18/401815418.db2.gz DJJOVQZLJGFAPV-CQSZACIVSA-N 2 2 323.506 2.498 50 0 DEAALP CC(C)CN1CC[N@@H+](Cc2cc(C[NH+](C)C)cs2)[C@H](C)C1=O ZINC000077438590 401815420 /nfs/dbraw/zinc/81/54/20/401815420.db2.gz DJJOVQZLJGFAPV-CQSZACIVSA-N 2 2 323.506 2.498 50 0 DEAALP COc1cc(OC)c(OC)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000035268951 401897442 /nfs/dbraw/zinc/89/74/42/401897442.db2.gz YVYKBNKMGCLAML-UHFFFAOYSA-N 2 2 305.378 2.089 50 0 DEAALP O=C(c1ccc(C[C@@H]2CCC[NH2+]C2)cc1)N1CCc2[nH]c[nH+]c2C1 ZINC000095370204 402029267 /nfs/dbraw/zinc/02/92/67/402029267.db2.gz WLCOUOAIJNNJBM-HNNXBMFYSA-N 2 2 324.428 2.150 50 0 DEAALP O=C(c1ccc(C[C@@H]2CCC[NH2+]C2)cc1)N1CCc2[nH+]c[nH]c2C1 ZINC000095370204 402029269 /nfs/dbraw/zinc/02/92/69/402029269.db2.gz WLCOUOAIJNNJBM-HNNXBMFYSA-N 2 2 324.428 2.150 50 0 DEAALP C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)C1CC[NH+](C)CC1 ZINC000095990575 402043615 /nfs/dbraw/zinc/04/36/15/402043615.db2.gz UGSNCPJVYXFCSI-AWEZNQCLSA-N 2 2 304.438 2.060 50 0 DEAALP Nc1cc[nH+]c(N2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000096148548 402062741 /nfs/dbraw/zinc/06/27/41/402062741.db2.gz ZJJWEWMBDJIHBH-LBPRGKRZSA-N 2 2 308.389 2.394 50 0 DEAALP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000069902016 402250457 /nfs/dbraw/zinc/25/04/57/402250457.db2.gz YJROSWHETZJXKP-INIZCTEOSA-N 2 2 323.400 2.245 50 0 DEAALP CC[NH+]1CCC(N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000071855425 402288605 /nfs/dbraw/zinc/28/86/05/402288605.db2.gz XELUUNQMAGXYPN-UHFFFAOYSA-N 2 2 314.433 2.128 50 0 DEAALP C[C@@H]1CN(Cc2ccc(OCCCn3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000252487722 402655435 /nfs/dbraw/zinc/65/54/35/402655435.db2.gz IASNRUWYZPIJRU-MRXNPFEDSA-N 2 2 314.433 2.146 50 0 DEAALP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccco1 ZINC000253427163 402665994 /nfs/dbraw/zinc/66/59/94/402665994.db2.gz IBDQWRJHSAYATN-SFHVURJKSA-N 2 2 315.417 2.136 50 0 DEAALP CC[NH+](CC)CCNC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000299786420 403574382 /nfs/dbraw/zinc/57/43/82/403574382.db2.gz KKCBVFPZGUEYAJ-UHFFFAOYSA-N 2 2 301.394 2.336 50 0 DEAALP COc1ccccc1/C=C/C[N@@H+]1CCO[C@@H](CC[NH+](C)C)C1 ZINC000012704350 683844083 /nfs/dbraw/zinc/84/40/83/683844083.db2.gz CUIPWHHFEVOJET-JKNJVXJCSA-N 2 2 304.434 2.361 50 0 DEAALP COc1ccccc1/C=C/C[N@H+]1CCO[C@@H](CC[NH+](C)C)C1 ZINC000012704350 683844088 /nfs/dbraw/zinc/84/40/88/683844088.db2.gz CUIPWHHFEVOJET-JKNJVXJCSA-N 2 2 304.434 2.361 50 0 DEAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](C(C)C)CC1 ZINC000082171002 185174437 /nfs/dbraw/zinc/17/44/37/185174437.db2.gz GSGJZYIFWQEOTD-UHFFFAOYSA-N 2 2 305.470 2.482 50 0 DEAALP O=C1CCCN1CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082134930 192360987 /nfs/dbraw/zinc/36/09/87/192360987.db2.gz XCXDSWFDDDVQCM-MRXNPFEDSA-N 2 2 316.449 2.095 50 0 DEAALP O=C1CCCN1CC[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082134930 192360989 /nfs/dbraw/zinc/36/09/89/192360989.db2.gz XCXDSWFDDDVQCM-MRXNPFEDSA-N 2 2 316.449 2.095 50 0 DEAALP CSc1ccc2c(C)cc(N[C@@H]3CC[NH2+]C[C@H]3O)[nH+]c2c1 ZINC000077537869 539363011 /nfs/dbraw/zinc/36/30/11/539363011.db2.gz XESKNHYGWCVHPI-UKRRQHHQSA-N 2 2 303.431 2.400 50 0 DEAALP CCOc1ccc(Cl)cc1C[N@H+](C)C[C@]1(O)CCC[NH2+]C1 ZINC000072431432 191162934 /nfs/dbraw/zinc/16/29/34/191162934.db2.gz WSVMYXFDEHBMFY-INIZCTEOSA-N 2 2 312.841 2.285 50 0 DEAALP CCOc1ccc(Cl)cc1C[N@@H+](C)C[C@]1(O)CCC[NH2+]C1 ZINC000072431432 191162937 /nfs/dbraw/zinc/16/29/37/191162937.db2.gz WSVMYXFDEHBMFY-INIZCTEOSA-N 2 2 312.841 2.285 50 0 DEAALP C[C@H]1C[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)C[N@@H+]1C1CC1 ZINC000079073654 355294882 /nfs/dbraw/zinc/29/48/82/355294882.db2.gz IPTGHYXYGVCAFM-LRDDRELGSA-N 2 2 320.408 2.450 50 0 DEAALP C[C@H]1C[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)C[N@H+]1C1CC1 ZINC000079073654 355294890 /nfs/dbraw/zinc/29/48/90/355294890.db2.gz IPTGHYXYGVCAFM-LRDDRELGSA-N 2 2 320.408 2.450 50 0 DEAALP COCc1nc([C@H]2CCCCC[N@@H+]2C)n(-c2cc[nH+]cc2)n1 ZINC000670473685 540938677 /nfs/dbraw/zinc/93/86/77/540938677.db2.gz SFDPUFRSOQSSAC-CQSZACIVSA-N 2 2 301.394 2.356 50 0 DEAALP COCc1nc([C@H]2CCCCC[N@H+]2C)n(-c2cc[nH+]cc2)n1 ZINC000670473685 540938678 /nfs/dbraw/zinc/93/86/78/540938678.db2.gz SFDPUFRSOQSSAC-CQSZACIVSA-N 2 2 301.394 2.356 50 0 DEAALP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC000195258047 201367738 /nfs/dbraw/zinc/36/77/38/201367738.db2.gz LGRXBCLWBOACCM-HNNXBMFYSA-N 2 2 319.478 2.102 50 0 DEAALP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC000195258047 201367742 /nfs/dbraw/zinc/36/77/42/201367742.db2.gz LGRXBCLWBOACCM-HNNXBMFYSA-N 2 2 319.478 2.102 50 0 DEAALP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000195258047 201367746 /nfs/dbraw/zinc/36/77/46/201367746.db2.gz LGRXBCLWBOACCM-HNNXBMFYSA-N 2 2 319.478 2.102 50 0 DEAALP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000195258047 201367747 /nfs/dbraw/zinc/36/77/47/201367747.db2.gz LGRXBCLWBOACCM-HNNXBMFYSA-N 2 2 319.478 2.102 50 0 DEAALP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CC)c1 ZINC000019365404 182118866 /nfs/dbraw/zinc/11/88/66/182118866.db2.gz QVEYJYLYMHELRN-IRXDYDNUSA-N 2 2 306.450 2.063 50 0 DEAALP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000019365404 182118868 /nfs/dbraw/zinc/11/88/68/182118868.db2.gz QVEYJYLYMHELRN-IRXDYDNUSA-N 2 2 306.450 2.063 50 0 DEAALP C[NH2+]C[C@H]1CCCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000493309246 249274799 /nfs/dbraw/zinc/27/47/99/249274799.db2.gz XJIJSQMKVZVRMB-UXHZXRBQSA-N 2 2 324.428 2.344 50 0 DEAALP COc1cc2c(cc1C[N@H+](C)C[C@]1(C)CC[NH+](C)C1)OCO2 ZINC000065426237 184343046 /nfs/dbraw/zinc/34/30/46/184343046.db2.gz XBROFZSKHIASIR-QGZVFWFLSA-N 2 2 306.406 2.198 50 0 DEAALP COc1cc2c(cc1C[N@@H+](C)C[C@]1(C)CC[NH+](C)C1)OCO2 ZINC000065426237 184343048 /nfs/dbraw/zinc/34/30/48/184343048.db2.gz XBROFZSKHIASIR-QGZVFWFLSA-N 2 2 306.406 2.198 50 0 DEAALP COc1cc2c(cc1C[NH+](C)C[C@]1(C)CC[N@H+](C)C1)OCO2 ZINC000065426237 184343049 /nfs/dbraw/zinc/34/30/49/184343049.db2.gz XBROFZSKHIASIR-QGZVFWFLSA-N 2 2 306.406 2.198 50 0 DEAALP COc1cc2c(cc1C[NH+](C)C[C@]1(C)CC[N@@H+](C)C1)OCO2 ZINC000065426237 184343051 /nfs/dbraw/zinc/34/30/51/184343051.db2.gz XBROFZSKHIASIR-QGZVFWFLSA-N 2 2 306.406 2.198 50 0 DEAALP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000072255113 401704279 /nfs/dbraw/zinc/70/42/79/401704279.db2.gz PYOZJMPLVYQFRS-AEFFLSMTSA-N 2 2 324.428 2.151 50 0 DEAALP NC(=O)C1([NH+]2CCCCC2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000002196261 401712342 /nfs/dbraw/zinc/71/23/42/401712342.db2.gz XYXJGSUZIIELNN-UHFFFAOYSA-N 2 2 319.424 2.132 50 0 DEAALP COCc1noc(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)n1 ZINC000077452610 401815885 /nfs/dbraw/zinc/81/58/85/401815885.db2.gz DDLVBSMJHMCBJN-AWEZNQCLSA-N 2 2 319.409 2.166 50 0 DEAALP COCc1noc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)n1 ZINC000077452610 401815887 /nfs/dbraw/zinc/81/58/87/401815887.db2.gz DDLVBSMJHMCBJN-AWEZNQCLSA-N 2 2 319.409 2.166 50 0 DEAALP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000035392726 401899154 /nfs/dbraw/zinc/89/91/54/401899154.db2.gz DSJSNJOHAOUPTL-LSDHHAIUSA-N 2 2 319.449 2.486 50 0 DEAALP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000035392726 401899155 /nfs/dbraw/zinc/89/91/55/401899155.db2.gz DSJSNJOHAOUPTL-LSDHHAIUSA-N 2 2 319.449 2.486 50 0 DEAALP CC1(C)C[NH+]=C(N2CC[NH+](CCc3ccccn3)CC2)S1 ZINC000096461287 402091767 /nfs/dbraw/zinc/09/17/67/402091767.db2.gz FYLJXNDUTVBTQY-UHFFFAOYSA-N 2 2 304.463 2.123 50 0 DEAALP Cc1nn(C)c(Cl)c1C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000097731776 402131762 /nfs/dbraw/zinc/13/17/62/402131762.db2.gz UBCFHQKSWJUAGH-UHFFFAOYSA-N 2 2 307.829 2.247 50 0 DEAALP C(=C/C[N@@H+]1CCOCC12CCC2)\C[NH+]1CCOCC12CCC2 ZINC000104321565 402202444 /nfs/dbraw/zinc/20/24/44/402202444.db2.gz YFJVFMAOUIRDGO-OWOJBTEDSA-N 2 2 306.450 2.052 50 0 DEAALP C(=C/C[N@H+]1CCOCC12CCC2)\C[NH+]1CCOCC12CCC2 ZINC000104321565 402202446 /nfs/dbraw/zinc/20/24/46/402202446.db2.gz YFJVFMAOUIRDGO-OWOJBTEDSA-N 2 2 306.450 2.052 50 0 DEAALP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000069493049 402227235 /nfs/dbraw/zinc/22/72/35/402227235.db2.gz 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[NH3+]CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CCO1 ZINC000534578712 334288660 /nfs/dbraw/zinc/28/86/60/334288660.db2.gz YOXOETXATHNONE-NSHDSACASA-N 2 2 306.303 2.394 50 0 DEAALP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)CCO1 ZINC000534578712 334288661 /nfs/dbraw/zinc/28/86/61/334288661.db2.gz YOXOETXATHNONE-NSHDSACASA-N 2 2 306.303 2.394 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)NCc2cccc(C[NH+](C)C)c2)[nH+]1 ZINC000534656583 334314138 /nfs/dbraw/zinc/31/41/38/334314138.db2.gz CHLFDXYXAJUGIF-UHFFFAOYSA-N 2 2 315.421 2.121 50 0 DEAALP Cc1cc(C)c2[nH]c(C[N@@H+]3CCO[C@@H](CC[NH3+])C3)cc(=O)c2c1 ZINC000253536097 563784548 /nfs/dbraw/zinc/78/45/48/563784548.db2.gz ABLWKLCMPUJKMT-HNNXBMFYSA-N 2 2 315.417 2.107 50 0 DEAALP Cc1cc(C)c2[nH]c(C[N@H+]3CCO[C@@H](CC[NH3+])C3)cc(=O)c2c1 ZINC000253536097 563784551 /nfs/dbraw/zinc/78/45/51/563784551.db2.gz ABLWKLCMPUJKMT-HNNXBMFYSA-N 2 2 315.417 2.107 50 0 DEAALP Cc1ccc2cc(C[NH2+][C@@H](C)[C@@H]3C[N@H+](C)CCN3C)ccc2n1 ZINC000952882962 792797408 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O=C1[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCN1c1ccccc1 ZINC000089845610 401967892 /nfs/dbraw/zinc/96/78/92/401967892.db2.gz LHRMDPPDGZJSCV-GDBMZVCRSA-N 2 2 310.401 2.156 50 0 DEAALP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000089905608 401972540 /nfs/dbraw/zinc/97/25/40/401972540.db2.gz GJJPFLFIMSHLBP-CGTJXYLNSA-N 2 2 315.461 2.280 50 0 DEAALP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000089905608 401972543 /nfs/dbraw/zinc/97/25/43/401972543.db2.gz GJJPFLFIMSHLBP-CGTJXYLNSA-N 2 2 315.461 2.280 50 0 DEAALP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000089905608 401972547 /nfs/dbraw/zinc/97/25/47/401972547.db2.gz GJJPFLFIMSHLBP-CGTJXYLNSA-N 2 2 315.461 2.280 50 0 DEAALP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000089905608 401972549 /nfs/dbraw/zinc/97/25/49/401972549.db2.gz GJJPFLFIMSHLBP-CGTJXYLNSA-N 2 2 315.461 2.280 50 0 DEAALP CCCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CCC[NH2+]CC1 ZINC000055383215 402081022 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Cc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000192226274 402718755 /nfs/dbraw/zinc/71/87/55/402718755.db2.gz PTJVZPFCQHYBBU-KRWDZBQOSA-N 2 2 312.417 2.488 50 0 DEAALP Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000192226274 402718758 /nfs/dbraw/zinc/71/87/58/402718758.db2.gz PTJVZPFCQHYBBU-KRWDZBQOSA-N 2 2 312.417 2.488 50 0 DEAALP c1cn(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c[nH+]1 ZINC000280225589 402977315 /nfs/dbraw/zinc/97/73/15/402977315.db2.gz ATSIHYCEIILLHM-KDURUIRLSA-N 3 2 310.445 2.337 50 0 DEAALP c1cn(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c[nH+]1 ZINC000280225589 402977317 /nfs/dbraw/zinc/97/73/17/402977317.db2.gz ATSIHYCEIILLHM-KDURUIRLSA-N 3 2 310.445 2.337 50 0 DEAALP c1cn(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c[nH+]1 ZINC000280225589 402977319 /nfs/dbraw/zinc/97/73/19/402977319.db2.gz ATSIHYCEIILLHM-KDURUIRLSA-N 3 2 310.445 2.337 50 0 DEAALP c1cn(CCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c[nH+]1 ZINC000280225589 402977321 /nfs/dbraw/zinc/97/73/21/402977321.db2.gz ATSIHYCEIILLHM-KDURUIRLSA-N 3 2 310.445 2.337 50 0 DEAALP C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008706503 274254408 /nfs/dbraw/zinc/25/44/08/274254408.db2.gz YQFXQFNEYLNEMA-UONOGXRCSA-N 2 2 300.406 2.390 50 0 DEAALP C[C@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000078916727 279340235 /nfs/dbraw/zinc/34/02/35/279340235.db2.gz HDVKYKZAXHREFJ-HUUCEWRRSA-N 2 2 300.406 2.081 50 0 DEAALP C[C@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000078916727 279340236 /nfs/dbraw/zinc/34/02/36/279340236.db2.gz HDVKYKZAXHREFJ-HUUCEWRRSA-N 2 2 300.406 2.081 50 0 DEAALP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000078986383 185140862 /nfs/dbraw/zinc/14/08/62/185140862.db2.gz PJHXSCMXRSEDFS-HNNXBMFYSA-N 2 2 316.380 2.220 50 0 DEAALP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000078986383 185140864 /nfs/dbraw/zinc/14/08/64/185140864.db2.gz PJHXSCMXRSEDFS-HNNXBMFYSA-N 2 2 316.380 2.220 50 0 DEAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000072418150 191157387 /nfs/dbraw/zinc/15/73/87/191157387.db2.gz QVASODVUGIMGEG-OAHLLOKOSA-N 2 2 305.470 2.246 50 0 DEAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000072418150 191157389 /nfs/dbraw/zinc/15/73/89/191157389.db2.gz QVASODVUGIMGEG-OAHLLOKOSA-N 2 2 305.470 2.246 50 0 DEAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)c1 ZINC000097200768 355702283 /nfs/dbraw/zinc/70/22/83/355702283.db2.gz WYDKAFOPTKHFRF-QAPCUYQASA-N 2 2 324.428 2.350 50 0 DEAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)c1 ZINC000097200768 355702286 /nfs/dbraw/zinc/70/22/86/355702286.db2.gz WYDKAFOPTKHFRF-QAPCUYQASA-N 2 2 324.428 2.350 50 0 DEAALP CC(C)[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000091365046 193046209 /nfs/dbraw/zinc/04/62/09/193046209.db2.gz GJMIEWFHONARCO-UHFFFAOYSA-N 2 2 314.437 2.446 50 0 DEAALP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc2c1OCCO2 ZINC000022820434 182335966 /nfs/dbraw/zinc/33/59/66/182335966.db2.gz QSRUWFAJPUUNNT-UHFFFAOYSA-N 2 2 318.417 2.183 50 0 DEAALP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000071905716 184898295 /nfs/dbraw/zinc/89/82/95/184898295.db2.gz NHNASZPYCCACPA-UHFFFAOYSA-N 2 2 324.428 2.349 50 0 DEAALP CCn1cc[nH+]c1CN1CC[N@H+](CC2(O)CCCCC2)C[C@@H]1C ZINC000072253914 401704209 /nfs/dbraw/zinc/70/42/09/401704209.db2.gz ZTJBRMNASADPLE-INIZCTEOSA-N 2 2 320.481 2.104 50 0 DEAALP CCn1cc[nH+]c1CN1CC[N@@H+](CC2(O)CCCCC2)C[C@@H]1C ZINC000072253914 401704210 /nfs/dbraw/zinc/70/42/10/401704210.db2.gz ZTJBRMNASADPLE-INIZCTEOSA-N 2 2 320.481 2.104 50 0 DEAALP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000075127275 401750618 /nfs/dbraw/zinc/75/06/18/401750618.db2.gz XLKGLLSIDLWQKR-QGZVFWFLSA-N 2 2 312.417 2.422 50 0 DEAALP CC(C)[NH+](CCNC(=O)c1ccc(-n2cc[nH+]c2)nc1)C(C)C ZINC000025239300 401831979 /nfs/dbraw/zinc/83/19/79/401831979.db2.gz KWWLDUOLDCNYHL-UHFFFAOYSA-N 2 2 315.421 2.116 50 0 DEAALP C[C@@H]1C[NH+]=C(N2CC[NH+](CCCCCn3cccn3)CC2)S1 ZINC000079497579 401874639 /nfs/dbraw/zinc/87/46/39/401874639.db2.gz XZQMBPXSIUNWMO-OAHLLOKOSA-N 2 2 321.494 2.162 50 0 DEAALP Cc1ccccc1-c1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC000082092422 401899760 /nfs/dbraw/zinc/89/97/60/401899760.db2.gz BWLWWABXUIWLHY-HUUCEWRRSA-N 2 2 303.431 2.012 50 0 DEAALP Cc1ccccc1-c1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC000082092422 401899762 /nfs/dbraw/zinc/89/97/62/401899762.db2.gz BWLWWABXUIWLHY-HUUCEWRRSA-N 2 2 303.431 2.012 50 0 DEAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(N(C)C)s1)CCC2 ZINC000089702142 401958002 /nfs/dbraw/zinc/95/80/02/401958002.db2.gz XEGIVEMDVXIKIC-LBPRGKRZSA-N 2 2 305.451 2.381 50 0 DEAALP Clc1c[nH+]ccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000096454003 402090713 /nfs/dbraw/zinc/09/07/13/402090713.db2.gz WKLXDZSWUIXDBY-AWEZNQCLSA-N 2 2 313.854 2.355 50 0 DEAALP Cc1ccc([C@@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)[NH+](C)C)cc1 ZINC000058304915 402099605 /nfs/dbraw/zinc/09/96/05/402099605.db2.gz REPRLXGMSDSSGS-NVXWUHKLSA-N 2 2 313.449 2.126 50 0 DEAALP C[C@@H]1C[N@H+](CCc2cccs2)CCN1Cc1[nH+]ccn1C ZINC000069489249 402226266 /nfs/dbraw/zinc/22/62/66/402226266.db2.gz XDNONAJESNTRAW-CQSZACIVSA-N 2 2 304.463 2.230 50 0 DEAALP C[C@@H]1C[N@@H+](CCc2cccs2)CCN1Cc1[nH+]ccn1C ZINC000069489249 402226268 /nfs/dbraw/zinc/22/62/68/402226268.db2.gz XDNONAJESNTRAW-CQSZACIVSA-N 2 2 304.463 2.230 50 0 DEAALP CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069531055 402229188 /nfs/dbraw/zinc/22/91/88/402229188.db2.gz NPKYLUGGPBDFBJ-INIZCTEOSA-N 2 2 312.417 2.363 50 0 DEAALP CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069531055 402229192 /nfs/dbraw/zinc/22/91/92/402229192.db2.gz NPKYLUGGPBDFBJ-INIZCTEOSA-N 2 2 312.417 2.363 50 0 DEAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069917654 402250609 /nfs/dbraw/zinc/25/06/09/402250609.db2.gz PTSOEDDFLMUQGD-OAHLLOKOSA-N 2 2 323.400 2.405 50 0 DEAALP [NH3+][C@@H]1CCCN(Cc2ccccc2OCCCn2cc[nH+]c2)C1 ZINC000215036302 402281182 /nfs/dbraw/zinc/28/11/82/402281182.db2.gz CSKPCPAUWOWAIJ-QGZVFWFLSA-N 2 2 314.433 2.275 50 0 DEAALP Cc1cc(C)n2ncc(C[N@H+]3CCC[C@H](c4[nH+]ccn4C)C3)c2n1 ZINC000216549958 402289473 /nfs/dbraw/zinc/28/94/73/402289473.db2.gz GKJHWLNVZCBNAP-HNNXBMFYSA-N 2 2 324.432 2.459 50 0 DEAALP CCc1ccc(C[N@H+](C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)cc1 ZINC000244773771 402449383 /nfs/dbraw/zinc/44/93/83/402449383.db2.gz PGDPPQJISJMPHA-WKILWMFISA-N 2 2 313.449 2.214 50 0 DEAALP CCc1ccc(C[N@@H+](C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)cc1 ZINC000244773771 402449384 /nfs/dbraw/zinc/44/93/84/402449384.db2.gz PGDPPQJISJMPHA-WKILWMFISA-N 2 2 313.449 2.214 50 0 DEAALP COc1ccnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1OC ZINC000190653794 402616621 /nfs/dbraw/zinc/61/66/21/402616621.db2.gz LEIIGTIWGXCALN-UHFFFAOYSA-N 2 2 302.378 2.132 50 0 DEAALP Cn1c[nH+]cc1-c1cccc(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000426726900 405376264 /nfs/dbraw/zinc/37/62/64/405376264.db2.gz OJWRNMKLWBYBSQ-UHFFFAOYSA-N 2 2 312.417 2.303 50 0 DEAALP C[NH2+]C[C@H]1CCCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493633883 405547355 /nfs/dbraw/zinc/54/73/55/405547355.db2.gz RNAWCFCGEJVUMT-UXHZXRBQSA-N 2 2 310.401 2.096 50 0 DEAALP CO[C@H](C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000585117760 405870904 /nfs/dbraw/zinc/87/09/04/405870904.db2.gz VYKMOWRMNBZHJQ-DDBAPUKQSA-N 2 2 306.450 2.319 50 0 DEAALP CO[C@H](C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000585117762 405869635 /nfs/dbraw/zinc/86/96/35/405869635.db2.gz VYKMOWRMNBZHJQ-VDHUWJSZSA-N 2 2 306.450 2.319 50 0 DEAALP NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000097113856 295106267 /nfs/dbraw/zinc/10/62/67/295106267.db2.gz SVDNISYCDASOAL-OLZOCXBDSA-N 2 2 321.387 2.037 50 0 DEAALP FC(F)(F)c1cc[nH+]c(N2CCC3(CC2)C[NH2+]CCO3)c1 ZINC000534592777 334294713 /nfs/dbraw/zinc/29/47/13/334294713.db2.gz KPPAHEODBIKIOR-UHFFFAOYSA-N 2 2 301.312 2.059 50 0 DEAALP CC(C)CC(=O)N1CC([N@@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799726 777831644 /nfs/dbraw/zinc/83/16/44/777831644.db2.gz OOVTXCBURDEYTC-UHFFFAOYSA-N 2 2 309.498 2.296 50 0 DEAALP CC(C)CC(=O)N1CC([N@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799726 777831654 /nfs/dbraw/zinc/83/16/54/777831654.db2.gz OOVTXCBURDEYTC-UHFFFAOYSA-N 2 2 309.498 2.296 50 0 DEAALP Cn1cc[nH+]c1CC[NH+]1CCC([C@H](O)c2cccs2)CC1 ZINC001529159071 1070888655 /nfs/dbraw/zinc/88/86/55/1070888655.db2.gz NGSCXXRKDSSFOH-INIZCTEOSA-N 2 2 305.447 2.470 50 0 DEAALP COCCn1cc[nH+]c1C1CCN(c2cc[nH+]cc2F)CC1 ZINC000095513393 185376511 /nfs/dbraw/zinc/37/65/11/185376511.db2.gz DSSZYNQOLOFXSF-UHFFFAOYSA-N 2 2 304.369 2.448 50 0 DEAALP CCC[C@@H]1CN(C(=O)c2csc(C[NH+](C)C)n2)C[C@H]1[NH+](C)C ZINC000082133717 192359224 /nfs/dbraw/zinc/35/92/24/192359224.db2.gz JZQGPRCUCPIUQK-TZMCWYRMSA-N 2 2 324.494 2.007 50 0 DEAALP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000185404241 356206551 /nfs/dbraw/zinc/20/65/51/356206551.db2.gz MKWYNDLQRWKLLS-HOTGVXAUSA-N 2 2 324.490 2.089 50 0 DEAALP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000185404241 356206554 /nfs/dbraw/zinc/20/65/54/356206554.db2.gz MKWYNDLQRWKLLS-HOTGVXAUSA-N 2 2 324.490 2.089 50 0 DEAALP C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000237252794 202206473 /nfs/dbraw/zinc/20/64/73/202206473.db2.gz RNAWCFCGEJVUMT-RCMYXZNBSA-N 2 2 310.401 2.096 50 0 DEAALP Cn1c2ccccc2[nH+]c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179299331 199012043 /nfs/dbraw/zinc/01/20/43/199012043.db2.gz KGOFLZWRZBRBRK-CQSZACIVSA-N 2 2 314.433 2.486 50 0 DEAALP CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCn3cc[nH+]c3)ccc2NC1=O ZINC000180008921 199106538 /nfs/dbraw/zinc/10/65/38/199106538.db2.gz SMWFFOCAXFAWKG-IUODEOHRSA-N 2 2 314.389 2.343 50 0 DEAALP c1coc(C[NH+]2CCC([NH2+][C@H]3CCc4c[nH]nc4C3)CC2)c1 ZINC000670435306 540932499 /nfs/dbraw/zinc/93/24/99/540932499.db2.gz ONCXWECEOKYRRJ-HNNXBMFYSA-N 2 2 300.406 2.114 50 0 DEAALP c1coc(C[NH+]2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)c1 ZINC000670435307 540932637 /nfs/dbraw/zinc/93/26/37/540932637.db2.gz ONCXWECEOKYRRJ-OAHLLOKOSA-N 2 2 300.406 2.114 50 0 DEAALP C[C@H](Nc1cccc[nH+]1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059299559 184136314 /nfs/dbraw/zinc/13/63/14/184136314.db2.gz IUXIFAFKABZUNG-INIZCTEOSA-N 2 2 324.428 2.226 50 0 DEAALP CCn1c[nH+]cc1C[NH2+]CC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000065452987 184347025 /nfs/dbraw/zinc/34/70/25/184347025.db2.gz JYISOEXPXWXDJE-CQSZACIVSA-N 2 2 300.406 2.178 50 0 DEAALP Cc1[nH+]ccn1CCN(C)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095380311 257272016 /nfs/dbraw/zinc/27/20/16/257272016.db2.gz OSSRLTVTYWLQEQ-MRXNPFEDSA-N 2 2 318.396 2.092 50 0 DEAALP CC/C=C(/C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000521394848 257240773 /nfs/dbraw/zinc/24/07/73/257240773.db2.gz HRCNZARWEDBVMF-APSNUPSMSA-N 2 2 307.482 2.361 50 0 DEAALP CC/C=C(/C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000521394848 257240775 /nfs/dbraw/zinc/24/07/75/257240775.db2.gz HRCNZARWEDBVMF-APSNUPSMSA-N 2 2 307.482 2.361 50 0 DEAALP COc1c2c(cc3c1[C@@H](Nc1cc[nH+]cc1)[N@@H+](C)CC3)OCO2 ZINC000004090480 401725588 /nfs/dbraw/zinc/72/55/88/401725588.db2.gz HUQDBZGOUSLPHP-KRWDZBQOSA-N 2 2 313.357 2.418 50 0 biogenic DEAALP C[NH+](C)CC1CC[NH+](Cc2nccn2CC(F)(F)F)CC1 ZINC000071899652 401694601 /nfs/dbraw/zinc/69/46/01/401694601.db2.gz URUDDNWEGSQIFH-UHFFFAOYSA-N 2 2 304.360 2.219 50 0 DEAALP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(OC)c1OC ZINC000020540889 401824402 /nfs/dbraw/zinc/82/44/02/401824402.db2.gz HNGUQNMFPRUZTD-AWEZNQCLSA-N 2 2 322.449 2.486 50 0 DEAALP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(OC)c1OC ZINC000020540889 401824404 /nfs/dbraw/zinc/82/44/04/401824404.db2.gz HNGUQNMFPRUZTD-AWEZNQCLSA-N 2 2 322.449 2.486 50 0 DEAALP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(OC)c1OC ZINC000020540889 401824406 /nfs/dbraw/zinc/82/44/06/401824406.db2.gz HNGUQNMFPRUZTD-AWEZNQCLSA-N 2 2 322.449 2.486 50 0 DEAALP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(OC)c1OC ZINC000020540889 401824409 /nfs/dbraw/zinc/82/44/09/401824409.db2.gz HNGUQNMFPRUZTD-AWEZNQCLSA-N 2 2 322.449 2.486 50 0 DEAALP CCC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000027979781 401849507 /nfs/dbraw/zinc/84/95/07/401849507.db2.gz FNFJBBDDXBXVOF-UHFFFAOYSA-N 2 2 319.449 2.433 50 0 DEAALP C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000133479608 401887971 /nfs/dbraw/zinc/88/79/71/401887971.db2.gz UIOGLVYFVYQJTK-YXMGTMDOSA-N 2 2 310.401 2.096 50 0 DEAALP CC[NH+]1CCC(CC(=O)N2CCC(Cn3cc[nH+]c3)CC2)CC1 ZINC000095385079 402031120 /nfs/dbraw/zinc/03/11/20/402031120.db2.gz FRRALUDAAABLEM-UHFFFAOYSA-N 2 2 318.465 2.244 50 0 DEAALP COc1cccc(OCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)c1 ZINC000095960441 402036920 /nfs/dbraw/zinc/03/69/20/402036920.db2.gz SDTHVCUJYNMGIT-UHFFFAOYSA-N 2 2 324.340 2.293 50 0 DEAALP Cc1ccc([C@@H](C[NH2+]C[C@H]2CNc3ccnn3C2)[NH+](C)C)cc1 ZINC000058304917 402099484 /nfs/dbraw/zinc/09/94/84/402099484.db2.gz REPRLXGMSDSSGS-DOTOQJQBSA-N 2 2 313.449 2.126 50 0 DEAALP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000097233638 402119255 /nfs/dbraw/zinc/11/92/55/402119255.db2.gz GELCXZNEOZPOBM-ZIAGYGMSSA-N 2 2 308.426 2.118 50 0 DEAALP COc1cc2c(cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)OCO2 ZINC000097711591 402131274 /nfs/dbraw/zinc/13/12/74/402131274.db2.gz JWWBRPQFIQHCGD-CQSZACIVSA-N 2 2 306.406 2.340 50 0 DEAALP COc1cc2c(cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OCO2 ZINC000097711591 402131276 /nfs/dbraw/zinc/13/12/76/402131276.db2.gz JWWBRPQFIQHCGD-CQSZACIVSA-N 2 2 306.406 2.340 50 0 DEAALP Cc1ccc2[nH]cc(-c3cc(N4CC[NH+](C)CC4)nc(N)[nH+]3)c2c1 ZINC000067948017 402179846 /nfs/dbraw/zinc/17/98/46/402179846.db2.gz FBTRDAGTSDZHNZ-UHFFFAOYSA-N 2 2 322.416 2.267 50 0 DEAALP CC[NH+](CC)CCn1cc[nH+]c1-c1ccc(S(C)(=O)=O)cc1 ZINC000067458470 402159602 /nfs/dbraw/zinc/15/96/02/402159602.db2.gz AVUYNHXURFXTNZ-UHFFFAOYSA-N 2 2 321.446 2.295 50 0 DEAALP Cc1cc(Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)nc(N)[nH+]1 ZINC000071811075 402280484 /nfs/dbraw/zinc/28/04/84/402280484.db2.gz ASOVROYPDJJXEC-RYUDHWBXSA-N 2 2 314.393 2.119 50 0 DEAALP C[C@H]1CCC[N@H+](CCCOc2ccccc2C[NH+]2CC(O)C2)C1 ZINC000215631751 402284121 /nfs/dbraw/zinc/28/41/21/402284121.db2.gz DWWMDQUVVQOBIO-INIZCTEOSA-N 2 2 318.461 2.364 50 0 DEAALP C[C@H]1CCC[N@@H+](CCCOc2ccccc2C[NH+]2CC(O)C2)C1 ZINC000215631751 402284122 /nfs/dbraw/zinc/28/41/22/402284122.db2.gz DWWMDQUVVQOBIO-INIZCTEOSA-N 2 2 318.461 2.364 50 0 DEAALP C[C@@H](O)c1cc2n(n1)CCC[N@H+](CC(C)(C)C[NH+]1CCCC1)C2 ZINC000221408220 402304201 /nfs/dbraw/zinc/30/42/01/402304201.db2.gz PQLSCXYUJRTWIN-OAHLLOKOSA-N 2 2 320.481 2.264 50 0 DEAALP C[C@@H](O)c1cc2n(n1)CCC[N@@H+](CC(C)(C)C[NH+]1CCCC1)C2 ZINC000221408220 402304203 /nfs/dbraw/zinc/30/42/03/402304203.db2.gz PQLSCXYUJRTWIN-OAHLLOKOSA-N 2 2 320.481 2.264 50 0 DEAALP CCc1[nH+]ccn1CCNC(=O)[C@H](c1ccccc1F)[NH+](C)C ZINC000222453321 402307319 /nfs/dbraw/zinc/30/73/19/402307319.db2.gz YWRLVZHBFGGOTH-INIZCTEOSA-N 2 2 318.396 2.004 50 0 DEAALP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)n1C ZINC000253424257 402665227 /nfs/dbraw/zinc/66/52/27/402665227.db2.gz CEUBQONBWZJDQR-HNNXBMFYSA-N 2 2 322.453 2.042 50 0 DEAALP C[C@H]1C[NH+](CCC2CC[NH+](CCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000131636692 196185833 /nfs/dbraw/zinc/18/58/33/196185833.db2.gz QVMVDEPCYPZFMD-IRXDYDNUSA-N 3 2 320.481 2.094 50 0 DEAALP Cc1ccsc1C[N@H+](Cc1ccccn1)C[C@]1(O)CC[NH2+]C1 ZINC000077386979 302302062 /nfs/dbraw/zinc/30/20/62/302302062.db2.gz AQPUYEIWSZHQRB-KRWDZBQOSA-N 2 2 317.458 2.178 50 0 DEAALP Cc1ccsc1C[N@@H+](Cc1ccccn1)C[C@]1(O)CC[NH2+]C1 ZINC000077386979 302302065 /nfs/dbraw/zinc/30/20/65/302302065.db2.gz AQPUYEIWSZHQRB-KRWDZBQOSA-N 2 2 317.458 2.178 50 0 DEAALP C[N@@H+]1CCN2CC[NH+](Cc3cc4ccccc4s3)C[C@H]2C1 ZINC000244774194 529779007 /nfs/dbraw/zinc/77/90/07/529779007.db2.gz PPKIQSUJVKUUPN-OAHLLOKOSA-N 2 2 301.459 2.333 50 0 DEAALP C[N@H+]1CCN2CC[NH+](Cc3cc4ccccc4s3)C[C@H]2C1 ZINC000244774194 529779009 /nfs/dbraw/zinc/77/90/09/529779009.db2.gz PPKIQSUJVKUUPN-OAHLLOKOSA-N 2 2 301.459 2.333 50 0 DEAALP C[NH+]1CCN2CC[N@H+](Cc3cc4ccccc4s3)C[C@H]2C1 ZINC000244774194 529779010 /nfs/dbraw/zinc/77/90/10/529779010.db2.gz PPKIQSUJVKUUPN-OAHLLOKOSA-N 2 2 301.459 2.333 50 0 DEAALP C[NH+]1CCN2CC[N@@H+](Cc3cc4ccccc4s3)C[C@H]2C1 ZINC000244774194 529779011 /nfs/dbraw/zinc/77/90/11/529779011.db2.gz PPKIQSUJVKUUPN-OAHLLOKOSA-N 2 2 301.459 2.333 50 0 DEAALP COc1ccc2oc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2c1 ZINC000095448655 185368550 /nfs/dbraw/zinc/36/85/50/185368550.db2.gz LMXCSVHOAPXFTI-RHSMWYFYSA-N 2 2 316.401 2.394 50 0 DEAALP COc1ccc2oc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2c1 ZINC000095448655 185368551 /nfs/dbraw/zinc/36/85/51/185368551.db2.gz LMXCSVHOAPXFTI-RHSMWYFYSA-N 2 2 316.401 2.394 50 0 DEAALP O=C(CCC[NH2+]Cc1ccccc1)N1CCCn2c[nH+]cc2C1 ZINC000072158733 191060440 /nfs/dbraw/zinc/06/04/40/191060440.db2.gz OBPCKMATNQRKFB-UHFFFAOYSA-N 2 2 312.417 2.185 50 0 DEAALP Nc1cc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc[nH+]1 ZINC000072167134 191066924 /nfs/dbraw/zinc/06/69/24/191066924.db2.gz UFNGEOYWDZWCLW-ATZDWAIDSA-N 2 2 321.428 2.125 50 0 DEAALP CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)CC(C)(C)O ZINC000225678060 186288751 /nfs/dbraw/zinc/28/87/51/186288751.db2.gz AZDXNZCBCOEAGK-SFHVURJKSA-N 2 2 320.477 2.370 50 0 DEAALP CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)CC(C)(C)O ZINC000225678060 186288752 /nfs/dbraw/zinc/28/87/52/186288752.db2.gz AZDXNZCBCOEAGK-SFHVURJKSA-N 2 2 320.477 2.370 50 0 DEAALP CC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)CC(C)(C)O ZINC000225678060 186288754 /nfs/dbraw/zinc/28/87/54/186288754.db2.gz AZDXNZCBCOEAGK-SFHVURJKSA-N 2 2 320.477 2.370 50 0 DEAALP CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)CC(C)(C)O ZINC000225678060 186288756 /nfs/dbraw/zinc/28/87/56/186288756.db2.gz AZDXNZCBCOEAGK-SFHVURJKSA-N 2 2 320.477 2.370 50 0 DEAALP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000003338922 181008236 /nfs/dbraw/zinc/00/82/36/181008236.db2.gz KHKKKTQEVMUUSV-JTQLQIEISA-N 2 2 301.793 2.347 50 0 DEAALP Cc1[nH+]cc(C[NH2+]CCC(=O)NC(C)C)n1-c1ccccc1 ZINC000075093158 355067397 /nfs/dbraw/zinc/06/73/97/355067397.db2.gz WYJZBQZPWDPRNK-UHFFFAOYSA-N 2 2 300.406 2.185 50 0 DEAALP c1cncc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000080593634 355372900 /nfs/dbraw/zinc/37/29/00/355372900.db2.gz JDTQZBJSRBROMO-UHFFFAOYSA-N 2 2 303.450 2.454 50 0 DEAALP CC[NH+]1CCC(CNc2nc(C)[nH+]c(C)c2C)([NH+](C)C)CC1 ZINC000092019945 193143378 /nfs/dbraw/zinc/14/33/78/193143378.db2.gz IZNGFEBVVUFPGB-UHFFFAOYSA-N 3 2 305.470 2.230 50 0 DEAALP CC[NH+]1CCC(CNc2nc(C)nc(C)c2C)([NH+](C)C)CC1 ZINC000092019945 193143380 /nfs/dbraw/zinc/14/33/80/193143380.db2.gz IZNGFEBVVUFPGB-UHFFFAOYSA-N 2 2 305.470 2.230 50 0 DEAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(C)ccc(C)c1C ZINC000022790010 182334977 /nfs/dbraw/zinc/33/49/77/182334977.db2.gz XBKYGHLSVYDCGL-MSOLQXFVSA-N 2 2 320.477 2.425 50 0 DEAALP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(C)ccc(C)c1C ZINC000022790010 182334979 /nfs/dbraw/zinc/33/49/79/182334979.db2.gz XBKYGHLSVYDCGL-MSOLQXFVSA-N 2 2 320.477 2.425 50 0 DEAALP CCCc1[nH+]ccn1-c1ccc([C@H](O)C[NH+]2CCOCC2)cc1 ZINC000065457061 184347572 /nfs/dbraw/zinc/34/75/72/184347572.db2.gz HYVINKCDMGGYNV-QGZVFWFLSA-N 2 2 315.417 2.190 50 0 DEAALP C[NH+](C)CCN1c2ccccc2[N@@H+](CC(=O)C(C)(C)C)C1=N ZINC000334157456 257261686 /nfs/dbraw/zinc/26/16/86/257261686.db2.gz AOGPKOZBGXXJOW-UHFFFAOYSA-N 2 2 302.422 2.099 50 0 DEAALP C[NH+](C)CCN1c2ccccc2[N@H+](CC(=O)C(C)(C)C)C1=N ZINC000334157456 257261687 /nfs/dbraw/zinc/26/16/87/257261687.db2.gz AOGPKOZBGXXJOW-UHFFFAOYSA-N 2 2 302.422 2.099 50 0 DEAALP COc1ccc(NC(=O)C[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000013129695 401797146 /nfs/dbraw/zinc/79/71/46/401797146.db2.gz UEMUGEJQCORKQS-UHFFFAOYSA-N 2 2 322.796 2.164 50 0 DEAALP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(C3CCCCCC3)C2)n1C ZINC000012316889 401783119 /nfs/dbraw/zinc/78/31/19/401783119.db2.gz OQDCQHMNRBWHQU-CQSZACIVSA-N 2 2 304.438 2.142 50 0 DEAALP O[C@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCc2ccccc21 ZINC000090795919 401986912 /nfs/dbraw/zinc/98/69/12/401986912.db2.gz KCZSSNKGKAVXOY-FQEVSTJZSA-N 2 2 323.440 2.474 50 0 DEAALP CN(CCCc1[nH+]ccn1C)C(=O)CC[NH+]1CCCCCCC1 ZINC000055368810 402080592 /nfs/dbraw/zinc/08/05/92/402080592.db2.gz GHLGKPUVSXDKRF-UHFFFAOYSA-N 2 2 320.481 2.467 50 0 DEAALP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000097233639 402119396 /nfs/dbraw/zinc/11/93/96/402119396.db2.gz GELCXZNEOZPOBM-UONOGXRCSA-N 2 2 308.426 2.118 50 0 DEAALP Cc1ccc2c(c1)CCCN2C(=O)C[NH2+]CCCn1cc[nH+]c1 ZINC000065425654 402125082 /nfs/dbraw/zinc/12/50/82/402125082.db2.gz MOQDJCBYGBOVEA-UHFFFAOYSA-N 2 2 312.417 2.151 50 0 DEAALP [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097757888 402131813 /nfs/dbraw/zinc/13/18/13/402131813.db2.gz FFRJYOLFAQXWHH-ROUUACIJSA-N 2 2 318.380 2.227 50 0 DEAALP C[C@@H]1CN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)[NH2+]1 ZINC000153624831 402158053 /nfs/dbraw/zinc/15/80/53/402158053.db2.gz VHQNSNVRCKGHJT-CZXPBSPDSA-N 2 2 310.401 2.094 50 0 DEAALP c1cn(C[C@H](Nc2ncnc3c2CC[NH2+]C3)c2ccccc2)c[nH+]1 ZINC000067872865 402176708 /nfs/dbraw/zinc/17/67/08/402176708.db2.gz YBQQXOARRUKMDC-KRWDZBQOSA-N 2 2 320.400 2.172 50 0 DEAALP c1cn(C[C@@H](Nc2ncnc3c2CC[NH2+]C3)c2ccccc2)c[nH+]1 ZINC000067872864 402177131 /nfs/dbraw/zinc/17/71/31/402177131.db2.gz YBQQXOARRUKMDC-QGZVFWFLSA-N 2 2 320.400 2.172 50 0 DEAALP CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069530366 402229087 /nfs/dbraw/zinc/22/90/87/402229087.db2.gz USFWVMWGEAZAII-INIZCTEOSA-N 2 2 312.417 2.220 50 0 DEAALP CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069530366 402229089 /nfs/dbraw/zinc/22/90/89/402229089.db2.gz USFWVMWGEAZAII-INIZCTEOSA-N 2 2 312.417 2.220 50 0 DEAALP C[NH+](C)[C@@H](C(=O)N1CC([NH+]2CCCCC2)C1)c1ccccc1F ZINC000223696965 402311982 /nfs/dbraw/zinc/31/19/82/402311982.db2.gz MDPOWFHFUWDCSE-QGZVFWFLSA-N 2 2 319.424 2.125 50 0 DEAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000170590938 402505758 /nfs/dbraw/zinc/50/57/58/402505758.db2.gz ZBOVWKMWYYDZRF-LBPRGKRZSA-N 2 2 301.394 2.135 50 0 DEAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000170590938 402505759 /nfs/dbraw/zinc/50/57/59/402505759.db2.gz ZBOVWKMWYYDZRF-LBPRGKRZSA-N 2 2 301.394 2.135 50 0 DEAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000170590944 402505797 /nfs/dbraw/zinc/50/57/97/402505797.db2.gz QKBJVCWXVYUXCG-LBPRGKRZSA-N 2 2 301.394 2.135 50 0 DEAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000170590944 402505800 /nfs/dbraw/zinc/50/58/00/402505800.db2.gz QKBJVCWXVYUXCG-LBPRGKRZSA-N 2 2 301.394 2.135 50 0 DEAALP O=C1Nc2ccccc2CC[C@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000192061860 402708968 /nfs/dbraw/zinc/70/89/68/402708968.db2.gz QWVGBMUJGSGTGF-QGZVFWFLSA-N 2 2 310.401 2.474 50 0 DEAALP Cc1nnc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)s1 ZINC000299791867 403577489 /nfs/dbraw/zinc/57/74/89/403577489.db2.gz DJAFKOXZJZWQFP-UHFFFAOYSA-N 2 2 303.435 2.262 50 0 DEAALP Cc1nnc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)s1 ZINC000299791867 403577491 /nfs/dbraw/zinc/57/74/91/403577491.db2.gz DJAFKOXZJZWQFP-UHFFFAOYSA-N 2 2 303.435 2.262 50 0 DEAALP CN(CCCc1[nH+]ccn1C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000426651345 405372725 /nfs/dbraw/zinc/37/27/25/405372725.db2.gz NUKDGIWILVIIBY-UHFFFAOYSA-N 2 2 314.433 2.187 50 0 DEAALP Cc1ccc([C@H](CNC(=O)CCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000299635657 229286674 /nfs/dbraw/zinc/28/66/74/229286674.db2.gz HLJJZBUNHHBZQT-INIZCTEOSA-N 2 2 300.406 2.001 50 0 DEAALP C[C@@H]1CN(c2nc(N3CCCC3)[nH+]c3ccccc32)C[C@@H](C)[NH2+]1 ZINC000004727693 274367389 /nfs/dbraw/zinc/36/73/89/274367389.db2.gz JRUDQZFHFOWAFQ-ZIAGYGMSSA-N 2 2 311.433 2.417 50 0 DEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(C(=O)C2CCCC2)CC1 ZINC000534633615 334308325 /nfs/dbraw/zinc/30/83/25/334308325.db2.gz VXCVVCRFHSTZNI-AWEZNQCLSA-N 2 2 304.438 2.042 50 0 DEAALP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2F)CCO1 ZINC000534636202 334309464 /nfs/dbraw/zinc/30/94/64/334309464.db2.gz HKELCZMSPXRQAK-GFCCVEGCSA-N 2 2 306.303 2.394 50 0 DEAALP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2F)CCO1 ZINC000534636202 334309465 /nfs/dbraw/zinc/30/94/65/334309465.db2.gz HKELCZMSPXRQAK-GFCCVEGCSA-N 2 2 306.303 2.394 50 0 DEAALP c1ncc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)s1 ZINC000585133871 790326438 /nfs/dbraw/zinc/32/64/38/790326438.db2.gz YGYUYCBAQUWIQB-UHFFFAOYSA-N 2 2 308.495 2.137 50 0 DEAALP COc1ncc(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2)cn1 ZINC000824852067 783610323 /nfs/dbraw/zinc/61/03/23/783610323.db2.gz OUCYQIVDAGQBLX-HNNXBMFYSA-N 2 2 301.394 2.127 50 0 DEAALP COc1ncc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2)cn1 ZINC000824852067 783610328 /nfs/dbraw/zinc/61/03/28/783610328.db2.gz OUCYQIVDAGQBLX-HNNXBMFYSA-N 2 2 301.394 2.127 50 0 DEAALP CC[N@H+](C)C[C@@H](C)[NH2+]CCc1nc(C)cc(C(F)(F)F)n1 ZINC001506420692 1061962205 /nfs/dbraw/zinc/96/22/05/1061962205.db2.gz AKTFZLQSLWONPC-LLVKDONJSA-N 2 2 304.360 2.276 50 0 DEAALP CC[N@@H+](C)C[C@@H](C)[NH2+]CCc1nc(C)cc(C(F)(F)F)n1 ZINC001506420692 1061962231 /nfs/dbraw/zinc/96/22/31/1061962231.db2.gz AKTFZLQSLWONPC-LLVKDONJSA-N 2 2 304.360 2.276 50 0 DEAALP Cc1nc(C(F)(F)F)ncc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000823716281 1090695632 /nfs/dbraw/zinc/69/56/32/1090695632.db2.gz UJROVFOWPSEJBL-LLVKDONJSA-N 2 2 302.344 2.187 50 0 DEAALP Cc1nc(C(F)(F)F)ncc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000823716281 1090695634 /nfs/dbraw/zinc/69/56/34/1090695634.db2.gz UJROVFOWPSEJBL-LLVKDONJSA-N 2 2 302.344 2.187 50 0 DEAALP Cc1nc(C(F)(F)F)ncc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000823716281 1090695637 /nfs/dbraw/zinc/69/56/37/1090695637.db2.gz UJROVFOWPSEJBL-LLVKDONJSA-N 2 2 302.344 2.187 50 0 DEAALP Cc1nc(C(F)(F)F)ncc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000823716281 1090695639 /nfs/dbraw/zinc/69/56/39/1090695639.db2.gz UJROVFOWPSEJBL-LLVKDONJSA-N 2 2 302.344 2.187 50 0 DEAALP Nc1cc(N2CCC[N@H+](CCCc3ccccc3)CC2)nc[nH+]1 ZINC000095519585 185377047 /nfs/dbraw/zinc/37/70/47/185377047.db2.gz VBPMIQSENWHQOK-UHFFFAOYSA-N 2 2 311.433 2.204 50 0 DEAALP Nc1cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)nc[nH+]1 ZINC000095519585 185377048 /nfs/dbraw/zinc/37/70/48/185377048.db2.gz VBPMIQSENWHQOK-UHFFFAOYSA-N 2 2 311.433 2.204 50 0 DEAALP Cc1[nH+]ccn1C[C@H]1CCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000225597735 186281721 /nfs/dbraw/zinc/28/17/21/186281721.db2.gz SNASJEHZJYDJGB-OAHLLOKOSA-N 2 2 312.421 2.472 50 0 DEAALP Cc1[nH+]ccn1C[C@H]1CCCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000225597735 186281724 /nfs/dbraw/zinc/28/17/24/186281724.db2.gz SNASJEHZJYDJGB-OAHLLOKOSA-N 2 2 312.421 2.472 50 0 DEAALP Nc1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)nc[nH+]1 ZINC000072410310 191153499 /nfs/dbraw/zinc/15/34/99/191153499.db2.gz PEGIDGLEQYANBA-CYBMUJFWSA-N 2 2 301.369 2.274 50 0 DEAALP Nc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc[nH+]1 ZINC000072410310 191153502 /nfs/dbraw/zinc/15/35/02/191153502.db2.gz PEGIDGLEQYANBA-CYBMUJFWSA-N 2 2 301.369 2.274 50 0 DEAALP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000170603118 355987968 /nfs/dbraw/zinc/98/79/68/355987968.db2.gz KYPVFUDYEICXAV-AWEZNQCLSA-N 2 2 301.438 2.406 50 0 DEAALP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000170603118 355987971 /nfs/dbraw/zinc/98/79/71/355987971.db2.gz KYPVFUDYEICXAV-AWEZNQCLSA-N 2 2 301.438 2.406 50 0 DEAALP C[N@H+](C[C@@H](NC(=O)C1CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000064421618 184296658 /nfs/dbraw/zinc/29/66/58/184296658.db2.gz VHLUKNDYQHQHLR-GOSISDBHSA-N 2 2 315.461 2.280 50 0 DEAALP C[N@@H+](C[C@@H](NC(=O)C1CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000064421618 184296660 /nfs/dbraw/zinc/29/66/60/184296660.db2.gz VHLUKNDYQHQHLR-GOSISDBHSA-N 2 2 315.461 2.280 50 0 DEAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2csc(C)n2)nc[nH+]1 ZINC000075132723 401751158 /nfs/dbraw/zinc/75/11/58/401751158.db2.gz NJDFDCJPIIBKMM-ZDUSSCGKSA-N 2 2 318.450 2.042 50 0 DEAALP Cc1c(C)n(Cc2ccccn2)c2nc[nH+]c(NCC[NH+](C)C)c12 ZINC000009422811 401762091 /nfs/dbraw/zinc/76/20/91/401762091.db2.gz UQXVAZWIUAUMCK-UHFFFAOYSA-N 2 2 324.432 2.465 50 0 DEAALP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3cccc[nH+]3)c2)C1 ZINC000078714228 401863169 /nfs/dbraw/zinc/86/31/69/401863169.db2.gz HBKHEEPGOPDHEE-QGZVFWFLSA-N 2 2 324.428 2.391 50 0 DEAALP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3cccc[nH+]3)c2)C1 ZINC000078714228 401863170 /nfs/dbraw/zinc/86/31/70/401863170.db2.gz HBKHEEPGOPDHEE-QGZVFWFLSA-N 2 2 324.428 2.391 50 0 DEAALP Cc1cc[nH+]c(N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c1 ZINC000119559053 401958752 /nfs/dbraw/zinc/95/87/52/401958752.db2.gz YZCXUCWWHLQSED-UHFFFAOYSA-N 2 2 324.432 2.329 50 0 DEAALP Cc1cc[nH+]c(N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)c1 ZINC000119559053 401958756 /nfs/dbraw/zinc/95/87/56/401958756.db2.gz YZCXUCWWHLQSED-UHFFFAOYSA-N 2 2 324.432 2.329 50 0 DEAALP C[NH+](C)[C@H](C(=O)NCCC[NH+]1CCCC1)c1ccccc1F ZINC000095385052 402031252 /nfs/dbraw/zinc/03/12/52/402031252.db2.gz JRQQDYXWACXVOK-INIZCTEOSA-N 2 2 307.413 2.031 50 0 DEAALP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000095964881 402037761 /nfs/dbraw/zinc/03/77/61/402037761.db2.gz DJPKSGABMKQRFB-DZGCQCFKSA-N 2 2 304.434 2.461 50 0 DEAALP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000095964881 402037764 /nfs/dbraw/zinc/03/77/64/402037764.db2.gz DJPKSGABMKQRFB-DZGCQCFKSA-N 2 2 304.434 2.461 50 0 DEAALP CCC(CC)(C[NH2+]C1CC[NH+](CC(C)C)CC1)S(C)(=O)=O ZINC000095968754 402038683 /nfs/dbraw/zinc/03/86/83/402038683.db2.gz SAKROHBQTNTPGJ-UHFFFAOYSA-N 2 2 318.527 2.300 50 0 DEAALP c1ncn(-c2ccc(C[NH2+]CCc3cn4c([nH+]3)CCCC4)cc2)n1 ZINC000097731762 402131540 /nfs/dbraw/zinc/13/15/40/402131540.db2.gz HHEQFEWZAPMZSP-UHFFFAOYSA-N 2 2 322.416 2.132 50 0 DEAALP CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)C1([NH3+])CCC1 ZINC000067434627 402158932 /nfs/dbraw/zinc/15/89/32/402158932.db2.gz SDHVEPUEEDNNDL-UHFFFAOYSA-N 2 2 324.428 2.216 50 0 DEAALP C[C@@H]1CCCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000069655795 402237006 /nfs/dbraw/zinc/23/70/06/402237006.db2.gz ZFQGGUGRMMMYTQ-NVXWUHKLSA-N 2 2 324.513 2.233 50 0 DEAALP C[C@@H]1CCCC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000069655795 402237009 /nfs/dbraw/zinc/23/70/09/402237009.db2.gz ZFQGGUGRMMMYTQ-NVXWUHKLSA-N 2 2 324.513 2.233 50 0 DEAALP Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1-n1cncn1 ZINC000195573503 402273680 /nfs/dbraw/zinc/27/36/80/402273680.db2.gz YXBUEWDVWAHGJU-QGZVFWFLSA-N 2 2 322.416 2.437 50 0 DEAALP Cc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1-n1cncn1 ZINC000195573503 402273685 /nfs/dbraw/zinc/27/36/85/402273685.db2.gz YXBUEWDVWAHGJU-QGZVFWFLSA-N 2 2 322.416 2.437 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)[nH+]1 ZINC000215280729 402282270 /nfs/dbraw/zinc/28/22/70/402282270.db2.gz GVUJJBDTNPANJL-HNNXBMFYSA-N 2 2 304.369 2.119 50 0 DEAALP C[N@@H+]1CCCC[C@@H]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000215539184 402284116 /nfs/dbraw/zinc/28/41/16/402284116.db2.gz MJCVGNRXENFESY-OAHLLOKOSA-N 2 2 321.490 2.267 50 0 DEAALP C[N@H+]1CCCC[C@@H]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000215539184 402284117 /nfs/dbraw/zinc/28/41/17/402284117.db2.gz MJCVGNRXENFESY-OAHLLOKOSA-N 2 2 321.490 2.267 50 0 DEAALP CCC[NH+]1CCC(Nc2cc(C3CC(O)C3)[nH+]c(C)n2)CC1 ZINC000219628488 402299204 /nfs/dbraw/zinc/29/92/04/402299204.db2.gz QNFRLQAZPKWIGL-UHFFFAOYSA-N 2 2 304.438 2.310 50 0 DEAALP C[N@@H+]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000219937948 402300218 /nfs/dbraw/zinc/30/02/18/402300218.db2.gz WPUXYFOGIZOBBD-KRWDZBQOSA-N 2 2 312.417 2.179 50 0 DEAALP C[N@H+]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000219937948 402300220 /nfs/dbraw/zinc/30/02/20/402300220.db2.gz WPUXYFOGIZOBBD-KRWDZBQOSA-N 2 2 312.417 2.179 50 0 DEAALP CCCn1cc[nH+]c1CNC(=O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000244866503 402450356 /nfs/dbraw/zinc/45/03/56/402450356.db2.gz VXIGDXMDXTXRSB-UHFFFAOYSA-N 2 2 314.433 2.350 50 0 DEAALP CCCn1cc[nH+]c1CNC(=O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000244866503 402450357 /nfs/dbraw/zinc/45/03/57/402450357.db2.gz VXIGDXMDXTXRSB-UHFFFAOYSA-N 2 2 314.433 2.350 50 0 DEAALP Cc1ccc(C[N@H+](C)CC(=O)N2CC([NH+]3CCCCC3)C2)cc1 ZINC000244893073 402450998 /nfs/dbraw/zinc/45/09/98/402450998.db2.gz YVCDRYGVBUENIC-UHFFFAOYSA-N 2 2 315.461 2.124 50 0 DEAALP Cc1ccc(C[N@@H+](C)CC(=O)N2CC([NH+]3CCCCC3)C2)cc1 ZINC000244893073 402451002 /nfs/dbraw/zinc/45/10/02/402451002.db2.gz YVCDRYGVBUENIC-UHFFFAOYSA-N 2 2 315.461 2.124 50 0 DEAALP CCn1cc[nH+]c1CN1CC[N@H+](CC2(O)CCCCC2)C[C@H]1C ZINC000252507150 402657421 /nfs/dbraw/zinc/65/74/21/402657421.db2.gz ZTJBRMNASADPLE-MRXNPFEDSA-N 2 2 320.481 2.104 50 0 DEAALP CCn1cc[nH+]c1CN1CC[N@@H+](CC2(O)CCCCC2)C[C@H]1C ZINC000252507150 402657422 /nfs/dbraw/zinc/65/74/22/402657422.db2.gz ZTJBRMNASADPLE-MRXNPFEDSA-N 2 2 320.481 2.104 50 0 DEAALP CC(C)Cn1c[nH+]cc1CNc1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000299776176 403571717 /nfs/dbraw/zinc/57/17/17/403571717.db2.gz KSWWSFDTOIUMIT-LBPRGKRZSA-N 2 2 316.409 2.027 50 0 DEAALP C[N@H+](Cc1ccon1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299779356 403573193 /nfs/dbraw/zinc/57/31/93/403573193.db2.gz QZPUZJGXBZZOSN-UHFFFAOYSA-N 2 2 301.390 2.437 50 0 DEAALP C[N@@H+](Cc1ccon1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299779356 403573198 /nfs/dbraw/zinc/57/31/98/403573198.db2.gz QZPUZJGXBZZOSN-UHFFFAOYSA-N 2 2 301.390 2.437 50 0 DEAALP C[NH+](C)Cc1cnc(C[NH2+]C[C@](C)(CO)c2ccccc2)s1 ZINC000342199242 404438181 /nfs/dbraw/zinc/43/81/81/404438181.db2.gz DTFIZVQFJAAOOF-QGZVFWFLSA-N 2 2 319.474 2.245 50 0 DEAALP CCc1[nH+]ccn1CCNC(=O)c1cccc(-c2[nH+]ccn2C)c1 ZINC000426545210 405368196 /nfs/dbraw/zinc/36/81/96/405368196.db2.gz UNGMIVWZJGXJNC-UHFFFAOYSA-N 2 2 323.400 2.276 50 0 DEAALP Fc1cccc(-n2cc(C[N@H+]3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)cn2)c1 ZINC000426551972 405368365 /nfs/dbraw/zinc/36/83/65/405368365.db2.gz KUSUIXOPFNGBHZ-USTZCAOPSA-N 2 2 312.392 2.194 50 0 DEAALP Fc1cccc(-n2cc(C[N@@H+]3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)cn2)c1 ZINC000426551972 405368369 /nfs/dbraw/zinc/36/83/69/405368369.db2.gz KUSUIXOPFNGBHZ-USTZCAOPSA-N 2 2 312.392 2.194 50 0 DEAALP Cc1[nH+]ccn1CC(=O)N1CCCn2cc[nH+]c2[C@@H]1C(C)C ZINC000257193832 424888746 /nfs/dbraw/zinc/88/87/46/424888746.db2.gz SANUHLIKIBQUBZ-HNNXBMFYSA-N 2 2 301.394 2.018 50 0 DEAALP Cc1cc(-c2ccc(C(=O)N[C@H]3CC[C@@H]([NH3+])C3)cc2)c[nH+]c1N ZINC000426563179 425001646 /nfs/dbraw/zinc/00/16/46/425001646.db2.gz UCQNRTNMCRCQMB-CVEARBPZSA-N 2 2 310.401 2.249 50 0 DEAALP C[C@H](C1CCN(c2cc(N(C)C)[nH+]cn2)CC1)[NH+]1CCCC1 ZINC000095383806 279243705 /nfs/dbraw/zinc/24/37/05/279243705.db2.gz PVOQQKRCIPZRON-CQSZACIVSA-N 2 2 303.454 2.243 50 0 DEAALP C[C@H](C1CCN(c2cc(N(C)C)nc[nH+]2)CC1)[NH+]1CCCC1 ZINC000095383806 279243707 /nfs/dbraw/zinc/24/37/07/279243707.db2.gz PVOQQKRCIPZRON-CQSZACIVSA-N 2 2 303.454 2.243 50 0 DEAALP Cc1ccc([C@@H](C(=O)N2CC([NH+]3CCCCC3)C2)[NH+](C)C)cc1 ZINC000091416624 301704889 /nfs/dbraw/zinc/70/48/89/301704889.db2.gz JLLDIVFFQBKGDX-SFHVURJKSA-N 2 2 315.461 2.294 50 0 DEAALP Cc1ccccc1[C@H](CNC(=O)CCn1cc[nH+]c1)[NH+](C)C ZINC000534582475 334289714 /nfs/dbraw/zinc/28/97/14/334289714.db2.gz SUGBSMJJLMNXRG-INIZCTEOSA-N 2 2 300.406 2.001 50 0 DEAALP Cc1c[nH+]ccc1NCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000952989412 635195505 /nfs/dbraw/zinc/19/55/05/635195505.db2.gz RZMODAQYQFDWGT-UHFFFAOYSA-N 3 2 307.401 2.199 50 0 DEAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000072419893 191157110 /nfs/dbraw/zinc/15/71/10/191157110.db2.gz LKPIAYQAMFUPGQ-INIZCTEOSA-N 2 2 317.481 2.390 50 0 DEAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000072419893 191157113 /nfs/dbraw/zinc/15/71/13/191157113.db2.gz LKPIAYQAMFUPGQ-INIZCTEOSA-N 2 2 317.481 2.390 50 0 DEAALP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000004389301 181105796 /nfs/dbraw/zinc/10/57/96/181105796.db2.gz HZFYFSXQPFAKQP-AWEZNQCLSA-N 2 2 302.340 2.164 50 0 DEAALP Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000192711658 356221341 /nfs/dbraw/zinc/22/13/41/356221341.db2.gz TYQXQHYUTYIBQH-ZIAGYGMSSA-N 2 2 315.421 2.240 50 0 DEAALP Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000192711658 356221352 /nfs/dbraw/zinc/22/13/52/356221352.db2.gz TYQXQHYUTYIBQH-ZIAGYGMSSA-N 2 2 315.421 2.240 50 0 DEAALP COc1cccc(OC)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000585093581 540256703 /nfs/dbraw/zinc/25/67/03/540256703.db2.gz DMDYFVIRJGVROR-OAHLLOKOSA-N 2 2 320.433 2.047 50 0 DEAALP CCOC(=O)N1CC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC000584891780 357327404 /nfs/dbraw/zinc/32/74/04/357327404.db2.gz UACHMLWABQDQMF-AWEZNQCLSA-N 2 2 319.405 2.156 50 0 DEAALP Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3c[nH+]cn3C)C2=O)c(C)c1 ZINC000188944757 200326190 /nfs/dbraw/zinc/32/61/90/200326190.db2.gz DXNUGZOAJMAGPH-INIZCTEOSA-N 2 2 312.417 2.240 50 0 DEAALP CC[N@H+]1CCC[C@@H](C[NH+]2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000670457320 540936061 /nfs/dbraw/zinc/93/60/61/540936061.db2.gz VPIPLENMYNWEOI-GOSISDBHSA-N 2 2 317.477 2.242 50 0 DEAALP CCn1c[nH+]cc1CNC(=O)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000065384241 184332907 /nfs/dbraw/zinc/33/29/07/184332907.db2.gz NZCIHTWZPMYLFO-MRXNPFEDSA-N 2 2 300.406 2.131 50 0 DEAALP CC[NH+]1CCC([NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000013143271 401797169 /nfs/dbraw/zinc/79/71/69/401797169.db2.gz FGYGDUZILHCAGN-UHFFFAOYSA-N 2 2 303.450 2.302 50 0 DEAALP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000075127274 401750394 /nfs/dbraw/zinc/75/03/94/401750394.db2.gz XLKGLLSIDLWQKR-KRWDZBQOSA-N 2 2 312.417 2.422 50 0 DEAALP CN(C)c1[nH+]cccc1CNC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000011953438 401777962 /nfs/dbraw/zinc/77/79/62/401777962.db2.gz AABXKJRTXLOMTQ-UHFFFAOYSA-N 2 2 316.449 2.172 50 0 DEAALP COC(=O)C1CC[NH+](CCC[N@H+]2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000097048461 402102931 /nfs/dbraw/zinc/10/29/31/402102931.db2.gz BQGQRDXYFZHSEH-OKILXGFUSA-N 2 2 314.495 2.087 50 0 DEAALP COC(=O)C1CC[NH+](CCC[N@@H+]2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000097048461 402102933 /nfs/dbraw/zinc/10/29/33/402102933.db2.gz BQGQRDXYFZHSEH-OKILXGFUSA-N 2 2 314.495 2.087 50 0 DEAALP CSc1cccc(-c2cc(N3CC[NH+](C)CC3)nc(N)[nH+]2)c1 ZINC000097514396 402126759 /nfs/dbraw/zinc/12/67/59/402126759.db2.gz IFYLLCJLEZXJAL-UHFFFAOYSA-N 2 2 315.446 2.200 50 0 DEAALP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccn[nH]2)C[C@@H](C)O1 ZINC000066990222 402149913 /nfs/dbraw/zinc/14/99/13/402149913.db2.gz QYWOUZJBKNLEGE-HUUCEWRRSA-N 2 2 314.433 2.309 50 0 DEAALP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cc[nH]n2)C[C@@H](C)O1 ZINC000066990222 402149915 /nfs/dbraw/zinc/14/99/15/402149915.db2.gz QYWOUZJBKNLEGE-HUUCEWRRSA-N 2 2 314.433 2.309 50 0 DEAALP CCn1cc[nH+]c1CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(C)n1 ZINC000067605020 402164588 /nfs/dbraw/zinc/16/45/88/402164588.db2.gz NVSLPGXJYFMNLS-CQSZACIVSA-N 2 2 314.437 2.105 50 0 DEAALP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ncc[nH]3)cc2)C[C@H](C)O1 ZINC000067668527 402166438 /nfs/dbraw/zinc/16/64/38/402166438.db2.gz FAJXDMTWWXBCJV-GJZGRUSLSA-N 2 2 314.433 2.309 50 0 DEAALP [NH3+][C@H]1CCCN(Cc2ccccc2OCCCn2cc[nH+]c2)C1 ZINC000215036254 402281262 /nfs/dbraw/zinc/28/12/62/402281262.db2.gz CSKPCPAUWOWAIJ-KRWDZBQOSA-N 2 2 314.433 2.275 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000215870310 402285544 /nfs/dbraw/zinc/28/55/44/402285544.db2.gz HHHKXAKXGJMLAP-MRXNPFEDSA-N 2 2 312.417 2.166 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000215870310 402285549 /nfs/dbraw/zinc/28/55/49/402285549.db2.gz HHHKXAKXGJMLAP-MRXNPFEDSA-N 2 2 312.417 2.166 50 0 DEAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000230096417 402347270 /nfs/dbraw/zinc/34/72/70/402347270.db2.gz YPMFMGUBLZJKFP-PVAVHDDUSA-N 2 2 306.475 2.280 50 0 DEAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000230096417 402347272 /nfs/dbraw/zinc/34/72/72/402347272.db2.gz YPMFMGUBLZJKFP-PVAVHDDUSA-N 2 2 306.475 2.280 50 0 DEAALP [NH3+]CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000237957853 402428626 /nfs/dbraw/zinc/42/86/26/402428626.db2.gz PXVSIHFVIYPXHK-UHFFFAOYSA-N 2 2 316.232 2.033 50 0 DEAALP Cc1c[nH]c(CNC(=O)N2CCC[N@@H+](C3CCCCC3)CC2)[nH+]1 ZINC000426716886 405375535 /nfs/dbraw/zinc/37/55/35/405375535.db2.gz NUQIPXONVVQZCU-UHFFFAOYSA-N 2 2 319.453 2.268 50 0 DEAALP Cc1c[nH]c(CNC(=O)N2CCC[N@H+](C3CCCCC3)CC2)[nH+]1 ZINC000426716886 405375537 /nfs/dbraw/zinc/37/55/37/405375537.db2.gz NUQIPXONVVQZCU-UHFFFAOYSA-N 2 2 319.453 2.268 50 0 DEAALP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCCCCO)CC[N@@H+]1C ZINC000585118075 405870613 /nfs/dbraw/zinc/87/06/13/405870613.db2.gz ANUGWYXKRPNIBP-NVXWUHKLSA-N 2 2 306.450 2.410 50 0 DEAALP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCCCCO)CC[N@H+]1C ZINC000585118075 405870620 /nfs/dbraw/zinc/87/06/20/405870620.db2.gz ANUGWYXKRPNIBP-NVXWUHKLSA-N 2 2 306.450 2.410 50 0 DEAALP CO[C@H](C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCOC1 ZINC000585117759 405870740 /nfs/dbraw/zinc/87/07/40/405870740.db2.gz VYKMOWRMNBZHJQ-BZZMCLGOSA-N 2 2 306.450 2.319 50 0 DEAALP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCCCCO)CC[N@@H+]1C ZINC000585118076 405870047 /nfs/dbraw/zinc/87/00/47/405870047.db2.gz ANUGWYXKRPNIBP-RDJZCZTQSA-N 2 2 306.450 2.410 50 0 DEAALP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCCCCO)CC[N@H+]1C ZINC000585118076 405870052 /nfs/dbraw/zinc/87/00/52/405870052.db2.gz ANUGWYXKRPNIBP-RDJZCZTQSA-N 2 2 306.450 2.410 50 0 DEAALP C[C@H](O)CCC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408519771 534053561 /nfs/dbraw/zinc/05/35/61/534053561.db2.gz ZWOMFTYLLKAIFE-JKSUJKDBSA-N 2 2 319.449 2.296 50 0 DEAALP C[C@H](O)CCC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408519771 534053569 /nfs/dbraw/zinc/05/35/69/534053569.db2.gz ZWOMFTYLLKAIFE-JKSUJKDBSA-N 2 2 319.449 2.296 50 0 DEAALP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@@H]1CO ZINC000091255819 521853650 /nfs/dbraw/zinc/85/36/50/521853650.db2.gz LHPGITBJTDMKRW-CHWSQXEVSA-N 2 2 300.805 2.081 50 0 DEAALP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@@H]1CO ZINC000091255819 521853655 /nfs/dbraw/zinc/85/36/55/521853655.db2.gz LHPGITBJTDMKRW-CHWSQXEVSA-N 2 2 300.805 2.081 50 0 DEAALP C[NH+](C)[C@H](C(=O)N1CC([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000095361478 684052851 /nfs/dbraw/zinc/05/28/51/684052851.db2.gz PUDWBOUWQQTXPM-KRWDZBQOSA-N 2 2 319.424 2.125 50 0 DEAALP CC(C)C[N@H+](C1CN(C(=O)C2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000581799637 784779450 /nfs/dbraw/zinc/77/94/50/784779450.db2.gz BFFIYCNLNRGRAS-UHFFFAOYSA-N 2 2 321.509 2.440 50 0 DEAALP CC(C)C[N@@H+](C1CN(C(=O)C2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000581799637 784779457 /nfs/dbraw/zinc/77/94/57/784779457.db2.gz BFFIYCNLNRGRAS-UHFFFAOYSA-N 2 2 321.509 2.440 50 0 DEAALP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000221970998 539728600 /nfs/dbraw/zinc/72/86/00/539728600.db2.gz PJGGDODQRCLYBN-LBPRGKRZSA-N 2 2 319.346 2.180 50 0 DEAALP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000221970998 539728602 /nfs/dbraw/zinc/72/86/02/539728602.db2.gz PJGGDODQRCLYBN-LBPRGKRZSA-N 2 2 319.346 2.180 50 0 DEAALP Cc1cc(C)cc(OCC[N@@H+](C)Cc2cc3n(n2)CC[NH2+]C3)c1 ZINC000072120951 191040069 /nfs/dbraw/zinc/04/00/69/191040069.db2.gz SOYSUJSAJKVZKN-UHFFFAOYSA-N 2 2 314.433 2.114 50 0 DEAALP Cc1cc(C)cc(OCC[N@H+](C)Cc2cc3n(n2)CC[NH2+]C3)c1 ZINC000072120951 191040071 /nfs/dbraw/zinc/04/00/71/191040071.db2.gz SOYSUJSAJKVZKN-UHFFFAOYSA-N 2 2 314.433 2.114 50 0 DEAALP Nc1cc[nH+]c(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072166587 191067399 /nfs/dbraw/zinc/06/73/99/191067399.db2.gz HHKAGHGWNKICDV-KBAYOESNSA-N 2 2 321.428 2.125 50 0 DEAALP CN1CC2(CC1=O)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000072421383 191158720 /nfs/dbraw/zinc/15/87/20/191158720.db2.gz UIVPAKOTGRWLPF-UHFFFAOYSA-N 2 2 324.428 2.317 50 0 DEAALP CCc1[nH+]ccn1CCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000299755479 539859791 /nfs/dbraw/zinc/85/97/91/539859791.db2.gz DLGKABXNVIOVSU-UHFFFAOYSA-N 2 2 311.389 2.108 50 0 DEAALP C[NH+](C)CC(C)(C)C[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000003310794 181002730 /nfs/dbraw/zinc/00/27/30/181002730.db2.gz JQDVQQOIWLVJRT-UHFFFAOYSA-N 2 2 317.355 2.220 50 0 DEAALP Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000248773418 356325244 /nfs/dbraw/zinc/32/52/44/356325244.db2.gz TYQXQHYUTYIBQH-KBPBESRZSA-N 2 2 315.421 2.240 50 0 DEAALP Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000248773418 356325252 /nfs/dbraw/zinc/32/52/52/356325252.db2.gz TYQXQHYUTYIBQH-KBPBESRZSA-N 2 2 315.421 2.240 50 0 DEAALP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2CC[C@H](C[NH+]2CC2CC2)C1 ZINC000091548800 193072402 /nfs/dbraw/zinc/07/24/02/193072402.db2.gz OWEWKWSABDCJCW-ZWKOTPCHSA-N 3 2 302.466 2.388 50 0 DEAALP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2CC[C@H](C[NH+]2CC2CC2)C1 ZINC000091548800 193072404 /nfs/dbraw/zinc/07/24/04/193072404.db2.gz OWEWKWSABDCJCW-ZWKOTPCHSA-N 3 2 302.466 2.388 50 0 DEAALP Cc1[nH+]ccn1CCC[NH+]1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091548800 193072405 /nfs/dbraw/zinc/07/24/05/193072405.db2.gz OWEWKWSABDCJCW-ZWKOTPCHSA-N 3 2 302.466 2.388 50 0 DEAALP Cc1[nH+]ccn1CCC[NH+]1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091548800 193072408 /nfs/dbraw/zinc/07/24/08/193072408.db2.gz OWEWKWSABDCJCW-ZWKOTPCHSA-N 3 2 302.466 2.388 50 0 DEAALP CC(C)CN1CC2(CC1=O)CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000091915027 193126308 /nfs/dbraw/zinc/12/63/08/193126308.db2.gz TVXJWZMKWJHWRE-UHFFFAOYSA-N 2 2 318.465 2.244 50 0 DEAALP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017967 193194433 /nfs/dbraw/zinc/19/44/33/193194433.db2.gz GUPHPDRTRSRTRC-KRWDZBQOSA-N 2 2 304.434 2.239 50 0 DEAALP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017967 193194435 /nfs/dbraw/zinc/19/44/35/193194435.db2.gz GUPHPDRTRSRTRC-KRWDZBQOSA-N 2 2 304.434 2.239 50 0 DEAALP O=C(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000065394814 184334927 /nfs/dbraw/zinc/33/49/27/184334927.db2.gz VLANEXHJJKIELP-GOSISDBHSA-N 2 2 324.428 2.274 50 0 DEAALP O=C(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000065394814 184334929 /nfs/dbraw/zinc/33/49/29/184334929.db2.gz VLANEXHJJKIELP-GOSISDBHSA-N 2 2 324.428 2.274 50 0 DEAALP CCn1c[nH+]cc1CNC(=O)[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000065384243 184332435 /nfs/dbraw/zinc/33/24/35/184332435.db2.gz NZCIHTWZPMYLFO-INIZCTEOSA-N 2 2 300.406 2.131 50 0 DEAALP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)n1cc[nH+]c1 ZINC000065939247 184383451 /nfs/dbraw/zinc/38/34/51/184383451.db2.gz AOCSEKCUCABIMM-AWEZNQCLSA-N 2 2 318.396 2.174 50 0 DEAALP Cc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000119911247 195059816 /nfs/dbraw/zinc/05/98/16/195059816.db2.gz BNLCVDVVCBMXAQ-CQSZACIVSA-N 2 2 318.421 2.012 50 0 DEAALP c1[nH+]c2ccccn2c1CC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082092563 401899998 /nfs/dbraw/zinc/89/99/98/401899998.db2.gz ZKRJYPXKKVZHEF-HNNXBMFYSA-N 2 2 315.417 2.195 50 0 DEAALP C[NH+](C)CCN1CCCN(c2cc[nH+]c3ccsc32)CC1 ZINC000095403192 402031836 /nfs/dbraw/zinc/03/18/36/402031836.db2.gz QJSNQTMAAUGWHN-UHFFFAOYSA-N 2 2 304.463 2.370 50 0 DEAALP O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972688 402039113 /nfs/dbraw/zinc/03/91/13/402039113.db2.gz KZNICRHYGRPNPP-KBPBESRZSA-N 2 2 321.446 2.228 50 0 DEAALP O[C@H](COCc1cccs1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972688 402039117 /nfs/dbraw/zinc/03/91/17/402039117.db2.gz KZNICRHYGRPNPP-KBPBESRZSA-N 2 2 321.446 2.228 50 0 DEAALP CCOC(=O)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)o1 ZINC000097034403 402100781 /nfs/dbraw/zinc/10/07/81/402100781.db2.gz FVGBXYIRKZGVEQ-GFCCVEGCSA-N 2 2 303.362 2.066 50 0 DEAALP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccccc1-c1[nH]cc[nH+]1)C2 ZINC000067673319 402167348 /nfs/dbraw/zinc/16/73/48/402167348.db2.gz ABZOYAGNSFOFJZ-UONOGXRCSA-N 2 2 310.401 2.385 50 0 DEAALP C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccccc1-c1[nH]cc[nH+]1)C2 ZINC000067673319 402167349 /nfs/dbraw/zinc/16/73/49/402167349.db2.gz ABZOYAGNSFOFJZ-UONOGXRCSA-N 2 2 310.401 2.385 50 0 DEAALP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000069902014 402250167 /nfs/dbraw/zinc/25/01/67/402250167.db2.gz YJROSWHETZJXKP-MRXNPFEDSA-N 2 2 323.400 2.245 50 0 DEAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000215702587 402284303 /nfs/dbraw/zinc/28/43/03/402284303.db2.gz IVTXAXOWVZOBMQ-AWEZNQCLSA-N 2 2 308.470 2.107 50 0 DEAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000215702587 402284305 /nfs/dbraw/zinc/28/43/05/402284305.db2.gz IVTXAXOWVZOBMQ-AWEZNQCLSA-N 2 2 308.470 2.107 50 0 DEAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000215702587 402284307 /nfs/dbraw/zinc/28/43/07/402284307.db2.gz IVTXAXOWVZOBMQ-AWEZNQCLSA-N 2 2 308.470 2.107 50 0 DEAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000215702587 402284311 /nfs/dbraw/zinc/28/43/11/402284311.db2.gz IVTXAXOWVZOBMQ-AWEZNQCLSA-N 2 2 308.470 2.107 50 0 DEAALP CC[N@H+](C)C[C@@H](C)CNC(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000215750951 402284838 /nfs/dbraw/zinc/28/48/38/402284838.db2.gz RMXJNGPGEKWAGG-ZDUSSCGKSA-N 2 2 300.406 2.394 50 0 DEAALP CC[N@@H+](C)C[C@@H](C)CNC(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000215750951 402284842 /nfs/dbraw/zinc/28/48/42/402284842.db2.gz RMXJNGPGEKWAGG-ZDUSSCGKSA-N 2 2 300.406 2.394 50 0 DEAALP O=C(NCc1[nH]cc[nH+]1)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000215750338 402284947 /nfs/dbraw/zinc/28/49/47/402284947.db2.gz XTEKPMDFAUCZMV-INIZCTEOSA-N 2 2 316.380 2.392 50 0 DEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000225398543 402316648 /nfs/dbraw/zinc/31/66/48/402316648.db2.gz ROSZULBSKVDSHB-GDBMZVCRSA-N 2 2 312.417 2.267 50 0 DEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000225398543 402316652 /nfs/dbraw/zinc/31/66/52/402316652.db2.gz ROSZULBSKVDSHB-GDBMZVCRSA-N 2 2 312.417 2.267 50 0 DEAALP C[C@@H]1CN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)[NH2+]1 ZINC000255205185 402681614 /nfs/dbraw/zinc/68/16/14/402681614.db2.gz VHQNSNVRCKGHJT-OVUXIIJLSA-N 2 2 310.401 2.094 50 0 DEAALP Cc1[nH+]cn(CC(=O)NCCCn2cc[nH+]c2C(C)C)c1C ZINC000299782618 403573182 /nfs/dbraw/zinc/57/31/82/403573182.db2.gz NBMXTIJXIAPKFE-UHFFFAOYSA-N 2 2 303.410 2.026 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)NCCC[N@H+](C)C2CCCC2)[nH+]1 ZINC000426445196 405360356 /nfs/dbraw/zinc/36/03/56/405360356.db2.gz YYRDVOKWRSIFHJ-UHFFFAOYSA-N 2 2 307.442 2.124 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)NCCC[N@@H+](C)C2CCCC2)[nH+]1 ZINC000426445196 405360358 /nfs/dbraw/zinc/36/03/58/405360358.db2.gz YYRDVOKWRSIFHJ-UHFFFAOYSA-N 2 2 307.442 2.124 50 0 DEAALP NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC1CCCCC1)C2 ZINC000426518923 405366117 /nfs/dbraw/zinc/36/61/17/405366117.db2.gz GHOYFNXTLAOSOH-SFHVURJKSA-N 2 2 307.482 2.230 50 0 DEAALP NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC1CCCCC1)C2 ZINC000426518923 405366120 /nfs/dbraw/zinc/36/61/20/405366120.db2.gz GHOYFNXTLAOSOH-SFHVURJKSA-N 2 2 307.482 2.230 50 0 DEAALP NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000426518923 405366123 /nfs/dbraw/zinc/36/61/23/405366123.db2.gz GHOYFNXTLAOSOH-SFHVURJKSA-N 2 2 307.482 2.230 50 0 DEAALP NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000426518923 405366125 /nfs/dbraw/zinc/36/61/25/405366125.db2.gz GHOYFNXTLAOSOH-SFHVURJKSA-N 2 2 307.482 2.230 50 0 DEAALP CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000338779069 281384785 /nfs/dbraw/zinc/38/47/85/281384785.db2.gz MWBGZBNRUIGFDY-LBPRGKRZSA-N 2 2 321.387 2.050 50 0 DEAALP C[C@@H]1C[NH+](CCC[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000328588550 563929669 /nfs/dbraw/zinc/92/96/69/563929669.db2.gz IHHSQJRUTDVLGN-DJDHSFSDSA-N 2 2 322.493 2.375 50 0 DEAALP C[C@@H]1C[N@@H+](CCC[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000328588550 563929672 /nfs/dbraw/zinc/92/96/72/563929672.db2.gz IHHSQJRUTDVLGN-DJDHSFSDSA-N 2 2 322.493 2.375 50 0 DEAALP C[C@@H]1C[N@H+](CCC[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000328588550 563929674 /nfs/dbraw/zinc/92/96/74/563929674.db2.gz IHHSQJRUTDVLGN-DJDHSFSDSA-N 2 2 322.493 2.375 50 0 DEAALP CC1(C)C[NH2+][C@H]1C1CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000952877352 792793151 /nfs/dbraw/zinc/79/31/51/792793151.db2.gz OMINBPJPCQPPCP-KRWDZBQOSA-N 2 2 317.481 2.215 50 0 DEAALP C[N@H+](C[C@@H]1CCCO1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000095408730 185356691 /nfs/dbraw/zinc/35/66/91/185356691.db2.gz QMROSXJOEXAYAM-SFHVURJKSA-N 2 2 303.450 2.199 50 0 DEAALP C[N@@H+](C[C@@H]1CCCO1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000095408730 185356692 /nfs/dbraw/zinc/35/66/92/185356692.db2.gz QMROSXJOEXAYAM-SFHVURJKSA-N 2 2 303.450 2.199 50 0 DEAALP CCn1cc[nH+]c1CN(C)C(=O)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000072126461 191043011 /nfs/dbraw/zinc/04/30/11/191043011.db2.gz NFWOEFRBRGPHSA-MRXNPFEDSA-N 2 2 312.417 2.252 50 0 DEAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccsc2)nc[nH+]1 ZINC000072254086 191088501 /nfs/dbraw/zinc/08/85/01/191088501.db2.gz LSMLMXPMZCAAJC-CYBMUJFWSA-N 2 2 303.435 2.338 50 0 DEAALP Nc1cc(N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)nc[nH+]1 ZINC000072476165 191178712 /nfs/dbraw/zinc/17/87/12/191178712.db2.gz OIXMLYNWXIOSNT-OAHLLOKOSA-N 2 2 309.417 2.103 50 0 DEAALP Nc1cc(N[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)nc[nH+]1 ZINC000072476165 191178715 /nfs/dbraw/zinc/17/87/15/191178715.db2.gz OIXMLYNWXIOSNT-OAHLLOKOSA-N 2 2 309.417 2.103 50 0 DEAALP COC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192040102 356220386 /nfs/dbraw/zinc/22/03/86/356220386.db2.gz MQPZMXWEQFWUPT-KRWDZBQOSA-N 2 2 301.390 2.028 50 0 DEAALP COC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192040102 356220392 /nfs/dbraw/zinc/22/03/92/356220392.db2.gz MQPZMXWEQFWUPT-KRWDZBQOSA-N 2 2 301.390 2.028 50 0 DEAALP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000185404275 356206623 /nfs/dbraw/zinc/20/66/23/356206623.db2.gz MKWYNDLQRWKLLS-JKSUJKDBSA-N 2 2 324.490 2.089 50 0 DEAALP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000185404275 356206625 /nfs/dbraw/zinc/20/66/25/356206625.db2.gz MKWYNDLQRWKLLS-JKSUJKDBSA-N 2 2 324.490 2.089 50 0 DEAALP CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCn3cc[nH+]c3)ccc2NC1=O ZINC000180008959 199106844 /nfs/dbraw/zinc/10/68/44/199106844.db2.gz SMWFFOCAXFAWKG-WFASDCNBSA-N 2 2 314.389 2.343 50 0 DEAALP CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000670453113 540935445 /nfs/dbraw/zinc/93/54/45/540935445.db2.gz JEHBCEJNXLMZSG-CYBMUJFWSA-N 2 2 306.410 2.210 50 0 DEAALP CCOC(=O)N1CCC([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000670453113 540935448 /nfs/dbraw/zinc/93/54/48/540935448.db2.gz JEHBCEJNXLMZSG-CYBMUJFWSA-N 2 2 306.410 2.210 50 0 DEAALP NC(=O)c1ccc(C[N@H+]2C[C@H]3CC[C@H](C[NH+]3CC3CC3)C2)cc1 ZINC000091680069 193090026 /nfs/dbraw/zinc/09/00/26/193090026.db2.gz UGUGSIOQURYJGZ-FUHWJXTLSA-N 2 2 313.445 2.092 50 0 DEAALP NC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[C@H](C[NH+]3CC3CC3)C2)cc1 ZINC000091680069 193090027 /nfs/dbraw/zinc/09/00/27/193090027.db2.gz UGUGSIOQURYJGZ-FUHWJXTLSA-N 2 2 313.445 2.092 50 0 DEAALP NC(=O)c1ccc(C[NH+]2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cc1 ZINC000091680069 193090029 /nfs/dbraw/zinc/09/00/29/193090029.db2.gz UGUGSIOQURYJGZ-FUHWJXTLSA-N 2 2 313.445 2.092 50 0 DEAALP NC(=O)c1ccc(C[NH+]2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)cc1 ZINC000091680069 193090031 /nfs/dbraw/zinc/09/00/31/193090031.db2.gz UGUGSIOQURYJGZ-FUHWJXTLSA-N 2 2 313.445 2.092 50 0 DEAALP COc1cc(C[N@@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)ccc1F ZINC000092062477 193150513 /nfs/dbraw/zinc/15/05/13/193150513.db2.gz NAQFYDIVZRDFJP-WBVHZDCISA-N 2 2 324.440 2.359 50 0 DEAALP COc1cc(C[N@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)ccc1F ZINC000092062477 193150514 /nfs/dbraw/zinc/15/05/14/193150514.db2.gz NAQFYDIVZRDFJP-WBVHZDCISA-N 2 2 324.440 2.359 50 0 DEAALP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4nonc4c3)CC2)nc1 ZINC000065405749 184338845 /nfs/dbraw/zinc/33/88/45/184338845.db2.gz GWBJZCDLVUJSSG-UHFFFAOYSA-N 2 2 323.400 2.372 50 0 DEAALP NC(=O)c1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000065457869 184348017 /nfs/dbraw/zinc/34/80/17/184348017.db2.gz QMDQIWOEDZTMMA-HNNXBMFYSA-N 2 2 310.401 2.115 50 0 DEAALP NC(=O)c1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000065457869 184348018 /nfs/dbraw/zinc/34/80/18/184348018.db2.gz QMDQIWOEDZTMMA-HNNXBMFYSA-N 2 2 310.401 2.115 50 0 DEAALP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1CCCC1 ZINC000065457945 184348458 /nfs/dbraw/zinc/34/84/58/184348458.db2.gz YPDUNKVRCVDARI-OAHLLOKOSA-N 2 2 316.449 2.264 50 0 DEAALP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1CCCC1 ZINC000065457945 184348460 /nfs/dbraw/zinc/34/84/60/184348460.db2.gz YPDUNKVRCVDARI-OAHLLOKOSA-N 2 2 316.449 2.264 50 0 DEAALP COc1cc2c(cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1)O[C@H](C)C2 ZINC000030909788 401867002 /nfs/dbraw/zinc/86/70/02/401867002.db2.gz OGILDRROQKYULC-QWHCGFSZSA-N 2 2 301.390 2.393 50 0 DEAALP CCC[NH+]1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000077426660 401815487 /nfs/dbraw/zinc/81/54/87/401815487.db2.gz RXURVYFWEXYLPF-UHFFFAOYSA-N 2 2 305.470 2.390 50 0 DEAALP CCN(CC[NH+]1CCCCCC1)Cc1[nH+]ccn1CCOC ZINC000055224614 402078189 /nfs/dbraw/zinc/07/81/89/402078189.db2.gz BOMDFBMYNVKXAP-UHFFFAOYSA-N 2 2 308.470 2.227 50 0 DEAALP O=C1Cc2ccc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2O1 ZINC000097200734 402116304 /nfs/dbraw/zinc/11/63/04/402116304.db2.gz ZVZZMWOTMZNUCX-OAHLLOKOSA-N 2 2 323.396 2.477 50 0 DEAALP O=C1Cc2ccc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2O1 ZINC000097200734 402116307 /nfs/dbraw/zinc/11/63/07/402116307.db2.gz ZVZZMWOTMZNUCX-OAHLLOKOSA-N 2 2 323.396 2.477 50 0 DEAALP CCn1cc[nH+]c1CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(C)n1 ZINC000067605022 402164643 /nfs/dbraw/zinc/16/46/43/402164643.db2.gz NVSLPGXJYFMNLS-AWEZNQCLSA-N 2 2 314.437 2.105 50 0 DEAALP CN(CCCc1ccccc1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219015855 402296992 /nfs/dbraw/zinc/29/69/92/402296992.db2.gz GEWDVKONEKBDNP-UHFFFAOYSA-N 2 2 311.433 2.333 50 0 DEAALP CCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000195543798 402850896 /nfs/dbraw/zinc/85/08/96/402850896.db2.gz QVCXPZIJHXGQSC-PBHICJAKSA-N 2 2 319.449 2.028 50 0 DEAALP Cc1c[nH]c([C@@H](C)NC(=O)c2ccc(C)c(OCCC[NH3+])c2)[nH+]1 ZINC000299756829 403566692 /nfs/dbraw/zinc/56/66/92/403566692.db2.gz HOFSORPQPWEPIS-CYBMUJFWSA-N 2 2 316.405 2.245 50 0 DEAALP Cn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000299760973 403568013 /nfs/dbraw/zinc/56/80/13/403568013.db2.gz QAKDRKJTDLCCMS-UHFFFAOYSA-N 2 2 301.350 2.128 50 0 DEAALP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000299760973 403568017 /nfs/dbraw/zinc/56/80/17/403568017.db2.gz QAKDRKJTDLCCMS-UHFFFAOYSA-N 2 2 301.350 2.128 50 0 DEAALP CC(C)Cn1c[nH+]cc1CNc1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000299776173 403572250 /nfs/dbraw/zinc/57/22/50/403572250.db2.gz KSWWSFDTOIUMIT-GFCCVEGCSA-N 2 2 316.409 2.027 50 0 DEAALP CCCN(Cc1[nH+]ccn1C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000534651156 334311883 /nfs/dbraw/zinc/31/18/83/334311883.db2.gz VHOPWHQWANNVHE-UHFFFAOYSA-N 2 2 321.469 2.074 50 0 DEAALP CC[NH+]1CCN(C2CC[NH+](Cc3cc(C(C)C)n[nH]3)CC2)CC1 ZINC000020601467 625057913 /nfs/dbraw/zinc/05/79/13/625057913.db2.gz BBGQUWLPYIHZHT-UHFFFAOYSA-N 2 2 319.497 2.135 50 0 DEAALP O=C(c1cccc(-n2cc[nH+]c2)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186539670 636224653 /nfs/dbraw/zinc/22/46/53/636224653.db2.gz FWZFVLMWQIWKHG-OAHLLOKOSA-N 2 2 310.401 2.229 50 0 DEAALP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C ZINC000585127363 790321830 /nfs/dbraw/zinc/32/18/30/790321830.db2.gz YLYBFQJMRGAFPK-WMZOPIPTSA-N 2 2 324.428 2.106 50 0 DEAALP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C ZINC000585127363 790321841 /nfs/dbraw/zinc/32/18/41/790321841.db2.gz YLYBFQJMRGAFPK-WMZOPIPTSA-N 2 2 324.428 2.106 50 0 DEAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]C1CC[NH+](C2CCOCC2)CC1 ZINC000823557087 1090688856 /nfs/dbraw/zinc/68/88/56/1090688856.db2.gz AXRGPOCYWUOXSH-HNNXBMFYSA-N 3 2 320.481 2.067 50 0 DEAALP O[C@]1(C[NH2+]Cc2cc(-c3ccccc3Cl)on2)CCC[NH2+]C1 ZINC000072474168 191177368 /nfs/dbraw/zinc/17/73/68/191177368.db2.gz WNBXVGYABDIFLY-MRXNPFEDSA-N 2 2 321.808 2.199 50 0 DEAALP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000348187886 283050997 /nfs/dbraw/zinc/05/09/97/283050997.db2.gz QJBCOCJVIBFNKH-GOSISDBHSA-N 2 2 304.434 2.450 50 0 DEAALP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000348187886 283050999 /nfs/dbraw/zinc/05/09/99/283050999.db2.gz QJBCOCJVIBFNKH-GOSISDBHSA-N 2 2 304.434 2.450 50 0 DEAALP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000072255112 354898839 /nfs/dbraw/zinc/89/88/39/354898839.db2.gz KREBRVUSFIZFIY-NVXWUHKLSA-N 2 2 312.417 2.007 50 0 DEAALP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000072255112 354898844 /nfs/dbraw/zinc/89/88/44/354898844.db2.gz KREBRVUSFIZFIY-NVXWUHKLSA-N 2 2 312.417 2.007 50 0 DEAALP CC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170595642 355986974 /nfs/dbraw/zinc/98/69/74/355986974.db2.gz JNYHCAGIAFAYMC-CQSZACIVSA-N 2 2 315.421 2.184 50 0 DEAALP CC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170595642 355986978 /nfs/dbraw/zinc/98/69/78/355986978.db2.gz JNYHCAGIAFAYMC-CQSZACIVSA-N 2 2 315.421 2.184 50 0 DEAALP O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCCc1c[nH+]c[nH]1 ZINC000091644729 193083875 /nfs/dbraw/zinc/08/38/75/193083875.db2.gz GOQYKBWDGCCOSC-GOEBONIOSA-N 2 2 304.438 2.113 50 0 DEAALP O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)NCCc1c[nH+]c[nH]1 ZINC000091644729 193083876 /nfs/dbraw/zinc/08/38/76/193083876.db2.gz GOQYKBWDGCCOSC-GOEBONIOSA-N 2 2 304.438 2.113 50 0 DEAALP O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCCc1c[nH]c[nH+]1 ZINC000091644729 193083878 /nfs/dbraw/zinc/08/38/78/193083878.db2.gz GOQYKBWDGCCOSC-GOEBONIOSA-N 2 2 304.438 2.113 50 0 DEAALP O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)NCCc1c[nH]c[nH+]1 ZINC000091644729 193083880 /nfs/dbraw/zinc/08/38/80/193083880.db2.gz GOQYKBWDGCCOSC-GOEBONIOSA-N 2 2 304.438 2.113 50 0 DEAALP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017964 193195240 /nfs/dbraw/zinc/19/52/40/193195240.db2.gz GUPHPDRTRSRTRC-QGZVFWFLSA-N 2 2 304.434 2.239 50 0 DEAALP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017964 193195242 /nfs/dbraw/zinc/19/52/42/193195242.db2.gz GUPHPDRTRSRTRC-QGZVFWFLSA-N 2 2 304.434 2.239 50 0 DEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC000019218122 182108386 /nfs/dbraw/zinc/10/83/86/182108386.db2.gz YCLKWVCWITWWAT-CQSZACIVSA-N 2 2 321.509 2.343 50 0 DEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC000019218122 182108388 /nfs/dbraw/zinc/10/83/88/182108388.db2.gz YCLKWVCWITWWAT-CQSZACIVSA-N 2 2 321.509 2.343 50 0 DEAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000022921011 182340890 /nfs/dbraw/zinc/34/08/90/182340890.db2.gz XBKYGHLSVYDCGL-QZTJIDSGSA-N 2 2 320.477 2.425 50 0 DEAALP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000022921011 182340892 /nfs/dbraw/zinc/34/08/92/182340892.db2.gz XBKYGHLSVYDCGL-QZTJIDSGSA-N 2 2 320.477 2.425 50 0 DEAALP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC1CCCC1 ZINC000065457938 184348242 /nfs/dbraw/zinc/34/82/42/184348242.db2.gz YPDUNKVRCVDARI-HNNXBMFYSA-N 2 2 316.449 2.264 50 0 DEAALP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC1CCCC1 ZINC000065457938 184348244 /nfs/dbraw/zinc/34/82/44/184348244.db2.gz YPDUNKVRCVDARI-HNNXBMFYSA-N 2 2 316.449 2.264 50 0 DEAALP Cc1cc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC000084114393 401902478 /nfs/dbraw/zinc/90/24/78/401902478.db2.gz LRDNEJJHFMTDLP-ZWKOTPCHSA-N 2 2 324.428 2.183 50 0 DEAALP Cc1cc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC000084114393 401902480 /nfs/dbraw/zinc/90/24/80/401902480.db2.gz LRDNEJJHFMTDLP-ZWKOTPCHSA-N 2 2 324.428 2.183 50 0 DEAALP c1ccc(-c2noc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000055211332 402077584 /nfs/dbraw/zinc/07/75/84/402077584.db2.gz LOJZMYYQXLUGIY-UHFFFAOYSA-N 2 2 321.384 2.454 50 0 DEAALP Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000096420819 402082448 /nfs/dbraw/zinc/08/24/48/402082448.db2.gz JWUVXCORGAMATJ-QGZVFWFLSA-N 2 2 311.385 2.230 50 0 DEAALP Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000096420819 402082450 /nfs/dbraw/zinc/08/24/50/402082450.db2.gz JWUVXCORGAMATJ-QGZVFWFLSA-N 2 2 311.385 2.230 50 0 DEAALP C[C@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)C[N@@H+]1C1CC1 ZINC000097081087 402104515 /nfs/dbraw/zinc/10/45/15/402104515.db2.gz QKSQDTVLHBAYML-JSGCOSHPSA-N 2 2 306.479 2.327 50 0 DEAALP C[C@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)C[N@H+]1C1CC1 ZINC000097081087 402104517 /nfs/dbraw/zinc/10/45/17/402104517.db2.gz QKSQDTVLHBAYML-JSGCOSHPSA-N 2 2 306.479 2.327 50 0 DEAALP CC[NH+](CC)CCC[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000097105645 402107556 /nfs/dbraw/zinc/10/75/56/402107556.db2.gz WBZPRCCLXUFKPQ-UHFFFAOYSA-N 2 2 311.499 2.091 50 0 DEAALP CC[NH+](CC)CCC[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000097105645 402107560 /nfs/dbraw/zinc/10/75/60/402107560.db2.gz WBZPRCCLXUFKPQ-UHFFFAOYSA-N 2 2 311.499 2.091 50 0 DEAALP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000097233635 402119167 /nfs/dbraw/zinc/11/91/67/402119167.db2.gz GELCXZNEOZPOBM-KGLIPLIRSA-N 2 2 308.426 2.118 50 0 DEAALP Cc1ccc([C@H](CNC(=O)[C@@H](C)n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000067266995 402155945 /nfs/dbraw/zinc/15/59/45/402155945.db2.gz QPVVNSMHCSKXLX-ZBFHGGJFSA-N 2 2 300.406 2.172 50 0 DEAALP CCCn1cc[nH+]c1CNC(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000222301420 402306806 /nfs/dbraw/zinc/30/68/06/402306806.db2.gz RUUGRWLPKZYYTJ-INIZCTEOSA-N 2 2 318.396 2.351 50 0 DEAALP Nc1nc(N[C@H](CO)CC2CCCCC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223084138 402309517 /nfs/dbraw/zinc/30/95/17/402309517.db2.gz LMGAYRSNEBWNDH-RUXDESIVSA-N 2 2 319.453 2.007 50 0 DEAALP C=Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cn1 ZINC000249037937 402618658 /nfs/dbraw/zinc/61/86/58/402618658.db2.gz TYWAIWXSPAQGAF-CRAIPNDOSA-N 2 2 311.433 2.379 50 0 DEAALP C=Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cn1 ZINC000249037937 402618660 /nfs/dbraw/zinc/61/86/60/402618660.db2.gz TYWAIWXSPAQGAF-CRAIPNDOSA-N 2 2 311.433 2.379 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000252505861 402657412 /nfs/dbraw/zinc/65/74/12/402657412.db2.gz ODVKQSCLMABVCF-JONQDZQNSA-N 2 2 307.482 2.096 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000252505861 402657413 /nfs/dbraw/zinc/65/74/13/402657413.db2.gz ODVKQSCLMABVCF-JONQDZQNSA-N 2 2 307.482 2.096 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000252505861 402657414 /nfs/dbraw/zinc/65/74/14/402657414.db2.gz ODVKQSCLMABVCF-JONQDZQNSA-N 2 2 307.482 2.096 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000252505861 402657415 /nfs/dbraw/zinc/65/74/15/402657415.db2.gz ODVKQSCLMABVCF-JONQDZQNSA-N 2 2 307.482 2.096 50 0 DEAALP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCN1C(=O)OC(C)(C)C ZINC000182928344 402727626 /nfs/dbraw/zinc/72/76/26/402727626.db2.gz BMGBCVFZTQQQMU-CQSZACIVSA-N 2 2 308.426 2.214 50 0 DEAALP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCN1C(=O)OC(C)(C)C ZINC000182928344 402727628 /nfs/dbraw/zinc/72/76/28/402727628.db2.gz BMGBCVFZTQQQMU-CQSZACIVSA-N 2 2 308.426 2.214 50 0 DEAALP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2Cc3ccccc3C2)C1 ZINC000299775184 403572221 /nfs/dbraw/zinc/57/22/21/403572221.db2.gz AMLHFQJMSAQKSU-INIZCTEOSA-N 2 2 315.461 2.096 50 0 DEAALP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2Cc3ccccc3C2)C1 ZINC000299775184 403572223 /nfs/dbraw/zinc/57/22/23/403572223.db2.gz AMLHFQJMSAQKSU-INIZCTEOSA-N 2 2 315.461 2.096 50 0 DEAALP Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Cl)cc1OCCC[NH3+] ZINC000426641627 405372046 /nfs/dbraw/zinc/37/20/46/405372046.db2.gz YQYJHUKSGYYAFU-UHFFFAOYSA-N 2 2 322.796 2.029 50 0 DEAALP C[C@@H]1C[NH+](CCC2CC[NH+](CCn3cc[nH+]c3)CC2)C[C@@H](C)O1 ZINC000131636930 196185800 /nfs/dbraw/zinc/18/58/00/196185800.db2.gz QVMVDEPCYPZFMD-IAGOWNOFSA-N 3 2 320.481 2.094 50 0 DEAALP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC000044976154 424815114 /nfs/dbraw/zinc/81/51/14/424815114.db2.gz LSQVNSJYJWQVEZ-OAHLLOKOSA-N 2 2 312.417 2.225 50 0 DEAALP O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)[C@@H]1C=CC[NH2+]1 ZINC000534651643 334312238 /nfs/dbraw/zinc/31/22/38/334312238.db2.gz UWBCGHDYQBHZMV-KVULBXGLSA-N 2 2 324.428 2.481 50 0 DEAALP CCCCOc1ccc(C[N@@H+]2CCN3CC[NH+](C)C[C@H]3C2)cc1 ZINC000243885796 528671807 /nfs/dbraw/zinc/67/18/07/528671807.db2.gz ACHYXNPEYMPQRN-SFHVURJKSA-N 2 2 317.477 2.297 50 0 DEAALP CCCCOc1ccc(C[N@H+]2CCN3CC[NH+](C)C[C@H]3C2)cc1 ZINC000243885796 528671815 /nfs/dbraw/zinc/67/18/15/528671815.db2.gz ACHYXNPEYMPQRN-SFHVURJKSA-N 2 2 317.477 2.297 50 0 DEAALP CCCCOc1ccc(C[NH+]2CCN3CC[N@H+](C)C[C@H]3C2)cc1 ZINC000243885796 528671820 /nfs/dbraw/zinc/67/18/20/528671820.db2.gz ACHYXNPEYMPQRN-SFHVURJKSA-N 2 2 317.477 2.297 50 0 DEAALP CCCCOc1ccc(C[NH+]2CCN3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC000243885796 528671825 /nfs/dbraw/zinc/67/18/25/528671825.db2.gz ACHYXNPEYMPQRN-SFHVURJKSA-N 2 2 317.477 2.297 50 0 DEAALP C[NH+](C)[C@@H](C(=O)N1CC([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000095361479 684052738 /nfs/dbraw/zinc/05/27/38/684052738.db2.gz PUDWBOUWQQTXPM-QGZVFWFLSA-N 2 2 319.424 2.125 50 0 DEAALP O=C(CC[N@@H+]1CC[C@H](c2[nH]cc[nH+]2)C1)Nc1cccc(F)c1 ZINC000585116373 789703368 /nfs/dbraw/zinc/70/33/68/789703368.db2.gz SDPDVKITBMZSKG-LBPRGKRZSA-N 2 2 302.353 2.367 50 0 DEAALP O=C(CC[N@H+]1CC[C@H](c2[nH]cc[nH+]2)C1)Nc1cccc(F)c1 ZINC000585116373 789703374 /nfs/dbraw/zinc/70/33/74/789703374.db2.gz SDPDVKITBMZSKG-LBPRGKRZSA-N 2 2 302.353 2.367 50 0 DEAALP CC(C)c1noc([C@H]2CCC[N@H+](CCc3[nH+]ccn3C)C2)n1 ZINC001506429390 1061976432 /nfs/dbraw/zinc/97/64/32/1061976432.db2.gz XUNUHZSGRINUCJ-ZDUSSCGKSA-N 2 2 303.410 2.349 50 0 DEAALP CC(C)c1noc([C@H]2CCC[N@@H+](CCc3[nH+]ccn3C)C2)n1 ZINC001506429390 1061976450 /nfs/dbraw/zinc/97/64/50/1061976450.db2.gz XUNUHZSGRINUCJ-ZDUSSCGKSA-N 2 2 303.410 2.349 50 0 DEAALP CCn1cc[nH+]c1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000095522756 185377426 /nfs/dbraw/zinc/37/74/26/185377426.db2.gz UZTUQKJHPCTVTI-HNNXBMFYSA-N 2 2 318.465 2.483 50 0 DEAALP CCn1cc[nH+]c1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCCC2)C1 ZINC000095522756 185377427 /nfs/dbraw/zinc/37/74/27/185377427.db2.gz UZTUQKJHPCTVTI-HNNXBMFYSA-N 2 2 318.465 2.483 50 0 DEAALP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@H+](C)C2CC2)C1 ZINC000072253233 191087882 /nfs/dbraw/zinc/08/78/82/191087882.db2.gz WPCYYXWGSSMPHW-HNNXBMFYSA-N 2 2 304.438 2.264 50 0 DEAALP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CC2)C1 ZINC000072253233 191087884 /nfs/dbraw/zinc/08/78/84/191087884.db2.gz WPCYYXWGSSMPHW-HNNXBMFYSA-N 2 2 304.438 2.264 50 0 DEAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(C)o2)nc[nH+]1 ZINC000072254084 191088995 /nfs/dbraw/zinc/08/89/95/191088995.db2.gz QKLRIBOPKWFIFB-ZDUSSCGKSA-N 2 2 301.394 2.178 50 0 DEAALP c1c[nH+]c(CN2CC[NH+](CCOC3CCCCCC3)CC2)[nH]1 ZINC000076019786 355119543 /nfs/dbraw/zinc/11/95/43/355119543.db2.gz ZLBOSRMJXDXVBX-UHFFFAOYSA-N 2 2 306.454 2.267 50 0 DEAALP COCc1nc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cs1 ZINC000089702154 355541453 /nfs/dbraw/zinc/54/14/53/355541453.db2.gz VUYJEZCGOHLDEB-LBPRGKRZSA-N 2 2 306.435 2.462 50 0 DEAALP Cc1cc(CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c[nH+]c1C ZINC000584898059 357329473 /nfs/dbraw/zinc/32/94/73/357329473.db2.gz QNJVEBANVJZESW-INIZCTEOSA-N 2 2 302.422 2.078 50 0 DEAALP Cc1cc(CNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)c[nH+]c1C ZINC000584898059 357329475 /nfs/dbraw/zinc/32/94/75/357329475.db2.gz QNJVEBANVJZESW-INIZCTEOSA-N 2 2 302.422 2.078 50 0 DEAALP CCc1c(C)[nH+]c(C)nc1N1CC[C@H]([NH+](C)C)[C@H](CCCO)C1 ZINC000091690438 193092364 /nfs/dbraw/zinc/09/23/64/193092364.db2.gz IPCUVNOHTNOXQJ-WBVHZDCISA-N 2 2 320.481 2.185 50 0 DEAALP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CC)c1 ZINC000022026969 182304290 /nfs/dbraw/zinc/30/42/90/182304290.db2.gz QVEYJYLYMHELRN-IAGOWNOFSA-N 2 2 306.450 2.063 50 0 DEAALP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CC)c1 ZINC000022026969 182304292 /nfs/dbraw/zinc/30/42/92/182304292.db2.gz QVEYJYLYMHELRN-IAGOWNOFSA-N 2 2 306.450 2.063 50 0 DEAALP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000022790328 182335128 /nfs/dbraw/zinc/33/51/28/182335128.db2.gz LAOHVZJDOZRPER-CQSZACIVSA-N 2 2 305.422 2.098 50 0 DEAALP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000058299835 184103137 /nfs/dbraw/zinc/10/31/37/184103137.db2.gz CGZPDVQMKHAYJQ-HOTGVXAUSA-N 2 2 312.417 2.088 50 0 DEAALP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000058299835 184103138 /nfs/dbraw/zinc/10/31/38/184103138.db2.gz CGZPDVQMKHAYJQ-HOTGVXAUSA-N 2 2 312.417 2.088 50 0 DEAALP COc1cc2c(cc1C[N@H+](C)C[C@@]1(C)CC[NH+](C)C1)OCO2 ZINC000065426234 184342819 /nfs/dbraw/zinc/34/28/19/184342819.db2.gz XBROFZSKHIASIR-KRWDZBQOSA-N 2 2 306.406 2.198 50 0 DEAALP COc1cc2c(cc1C[N@@H+](C)C[C@@]1(C)CC[NH+](C)C1)OCO2 ZINC000065426234 184342820 /nfs/dbraw/zinc/34/28/20/184342820.db2.gz XBROFZSKHIASIR-KRWDZBQOSA-N 2 2 306.406 2.198 50 0 DEAALP COc1cc2c(cc1C[NH+](C)C[C@@]1(C)CC[N@H+](C)C1)OCO2 ZINC000065426234 184342821 /nfs/dbraw/zinc/34/28/21/184342821.db2.gz XBROFZSKHIASIR-KRWDZBQOSA-N 2 2 306.406 2.198 50 0 DEAALP COc1cc2c(cc1C[NH+](C)C[C@@]1(C)CC[N@@H+](C)C1)OCO2 ZINC000065426234 184342822 /nfs/dbraw/zinc/34/28/22/184342822.db2.gz XBROFZSKHIASIR-KRWDZBQOSA-N 2 2 306.406 2.198 50 0 DEAALP Cc1cccn2c(CNC(=O)C3CC[NH+](C(C)C)CC3)c[nH+]c12 ZINC000065435154 184344814 /nfs/dbraw/zinc/34/48/14/184344814.db2.gz PBHUBHVBMZNEBE-UHFFFAOYSA-N 2 2 314.433 2.379 50 0 DEAALP CCC[NH+]1CCC([NH2+]CC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000065397140 184335695 /nfs/dbraw/zinc/33/56/95/184335695.db2.gz KRHAVFYUVHWWRR-UHFFFAOYSA-N 2 2 319.449 2.406 50 0 DEAALP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C ZINC000075145343 401752177 /nfs/dbraw/zinc/75/21/77/401752177.db2.gz ZSJRLANZGISHGH-DZGCQCFKSA-N 2 2 323.506 2.477 50 0 DEAALP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C ZINC000075145343 401752178 /nfs/dbraw/zinc/75/21/78/401752178.db2.gz ZSJRLANZGISHGH-DZGCQCFKSA-N 2 2 323.506 2.477 50 0 DEAALP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C ZINC000075145343 401752180 /nfs/dbraw/zinc/75/21/80/401752180.db2.gz ZSJRLANZGISHGH-DZGCQCFKSA-N 2 2 323.506 2.477 50 0 DEAALP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C ZINC000075145343 401752182 /nfs/dbraw/zinc/75/21/82/401752182.db2.gz ZSJRLANZGISHGH-DZGCQCFKSA-N 2 2 323.506 2.477 50 0 DEAALP O=C(CCCn1cc[nH+]c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077534866 401819177 /nfs/dbraw/zinc/81/91/77/401819177.db2.gz HJUCCJFMXRUMCX-UHFFFAOYSA-N 2 2 304.438 2.140 50 0 DEAALP O=C(CCCn1cc[nH+]c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000077534866 401819178 /nfs/dbraw/zinc/81/91/78/401819178.db2.gz HJUCCJFMXRUMCX-UHFFFAOYSA-N 2 2 304.438 2.140 50 0 DEAALP c1cn(CCC[N@@H+](Cc2cccnc2)C[C@H]2CCOC2)c[nH+]1 ZINC000055344583 402080621 /nfs/dbraw/zinc/08/06/21/402080621.db2.gz RAQQRTOXBSHLAU-QGZVFWFLSA-N 2 2 300.406 2.207 50 0 DEAALP c1cn(CCC[N@H+](Cc2cccnc2)C[C@H]2CCOC2)c[nH+]1 ZINC000055344583 402080624 /nfs/dbraw/zinc/08/06/24/402080624.db2.gz RAQQRTOXBSHLAU-QGZVFWFLSA-N 2 2 300.406 2.207 50 0 DEAALP NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200622 402115752 /nfs/dbraw/zinc/11/57/52/402115752.db2.gz KTWRCNKIJSTWAS-RHSMWYFYSA-N 2 2 310.401 2.042 50 0 DEAALP NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200622 402115754 /nfs/dbraw/zinc/11/57/54/402115754.db2.gz KTWRCNKIJSTWAS-RHSMWYFYSA-N 2 2 310.401 2.042 50 0 DEAALP Cc1[nH]c2ccc(NC(=O)NCC[NH+]3CCCCC3)cc2[nH+]1 ZINC000096141850 402062291 /nfs/dbraw/zinc/06/22/91/402062291.db2.gz KSFFIKMHXDLRHS-UHFFFAOYSA-N 2 2 301.394 2.479 50 0 DEAALP C[NH+](C)CCSCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000069780165 402244196 /nfs/dbraw/zinc/24/41/96/402244196.db2.gz GPRFUCZTCZYTDC-UHFFFAOYSA-N 2 2 304.419 2.106 50 0 DEAALP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000071828226 402284510 /nfs/dbraw/zinc/28/45/10/402284510.db2.gz LFAUCQJXQJTMCZ-OAHLLOKOSA-N 2 2 300.406 2.269 50 0 DEAALP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000071828226 402284512 /nfs/dbraw/zinc/28/45/12/402284512.db2.gz LFAUCQJXQJTMCZ-OAHLLOKOSA-N 2 2 300.406 2.269 50 0 DEAALP Cc1cc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)ccc1F ZINC000222545663 402307747 /nfs/dbraw/zinc/30/77/47/402307747.db2.gz VYQVOMQCCOPAMM-UHFFFAOYSA-N 2 2 301.369 2.323 50 0 DEAALP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)n1C ZINC000253424258 402665530 /nfs/dbraw/zinc/66/55/30/402665530.db2.gz CEUBQONBWZJDQR-OAHLLOKOSA-N 2 2 322.453 2.042 50 0 DEAALP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(-n2cnnn2)cc1 ZINC000367436650 405048478 /nfs/dbraw/zinc/04/84/78/405048478.db2.gz GVXSEZNWNVDNAG-ZDUSSCGKSA-N 2 2 323.404 2.046 50 0 DEAALP COc1cc2[nH+]c(N3CC[NH+](C)CC3)cc(C)c2c(OC)c1 ZINC000000227812 683830558 /nfs/dbraw/zinc/83/05/58/683830558.db2.gz KVMDWBUHXMCYCE-UHFFFAOYSA-N 2 2 301.390 2.312 50 0 DEAALP Cn1cc[nH+]c1CC[NH+]1CCC([C@H](O)Cc2ccccc2)CC1 ZINC001506427602 1061972303 /nfs/dbraw/zinc/97/23/03/1061972303.db2.gz RCXOFIRGXYFDAD-GOSISDBHSA-N 2 2 313.445 2.278 50 0 DEAALP C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2ncccc2F)C1 ZINC000095508604 185375803 /nfs/dbraw/zinc/37/58/03/185375803.db2.gz DFNJMFDJEWFOOP-CQSZACIVSA-N 2 2 317.412 2.363 50 0 DEAALP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ncnn1C ZINC000189957710 186255231 /nfs/dbraw/zinc/25/52/31/186255231.db2.gz LZCWFFRJIOTZRU-HUUCEWRRSA-N 2 2 313.449 2.061 50 0 DEAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091603450 193078968 /nfs/dbraw/zinc/07/89/68/193078968.db2.gz GYCXOUKHONEBPE-CYBMUJFWSA-N 2 2 314.364 2.432 50 0 DEAALP CCc1[nH+]ccn1CCNC(=O)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000091663575 193086915 /nfs/dbraw/zinc/08/69/15/193086915.db2.gz OQQWOPMWJXAHCO-QGZVFWFLSA-N 2 2 314.433 2.173 50 0 DEAALP [NH3+]CCc1cccc(C[N@@H+]2CCN(c3ccccc3)C(=O)C2)c1 ZINC000091625652 193081936 /nfs/dbraw/zinc/08/19/36/193081936.db2.gz LDRKIAJTWSGCHF-UHFFFAOYSA-N 2 2 309.413 2.037 50 0 DEAALP [NH3+]CCc1cccc(C[N@H+]2CCN(c3ccccc3)C(=O)C2)c1 ZINC000091625652 193081937 /nfs/dbraw/zinc/08/19/37/193081937.db2.gz LDRKIAJTWSGCHF-UHFFFAOYSA-N 2 2 309.413 2.037 50 0 DEAALP Cc1nc(C)c(C[NH+]2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)s1 ZINC000020997845 182258201 /nfs/dbraw/zinc/25/82/01/182258201.db2.gz BXYNHSMUIXHUSE-OAHLLOKOSA-N 2 2 323.506 2.429 50 0 DEAALP Cc1nc(C)c(C[NH+]2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)s1 ZINC000020997845 182258204 /nfs/dbraw/zinc/25/82/04/182258204.db2.gz BXYNHSMUIXHUSE-OAHLLOKOSA-N 2 2 323.506 2.429 50 0 DEAALP Cc1ccc([C@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)[NH+](C)C)cc1 ZINC000058304916 184102870 /nfs/dbraw/zinc/10/28/70/184102870.db2.gz REPRLXGMSDSSGS-WBVHZDCISA-N 2 2 313.449 2.126 50 0 DEAALP C[C@H](Cn1cncn1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000065387936 184333724 /nfs/dbraw/zinc/33/37/24/184333724.db2.gz OBPKXLHCPDLUQS-MRXNPFEDSA-N 2 2 305.470 2.445 50 0 DEAALP Cc1nnc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000065452606 184346769 /nfs/dbraw/zinc/34/67/69/184346769.db2.gz ULSHNNCFFJWBFM-AWEZNQCLSA-N 2 2 313.449 2.471 50 0 DEAALP Cn1cc[nH+]c1CN1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072408429 257270950 /nfs/dbraw/zinc/27/09/50/257270950.db2.gz HKAFPSUUJVECCL-SFHVURJKSA-N 2 2 310.445 2.095 50 0 DEAALP CN(Cc1[nH+]ccn1C)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000019952522 401823241 /nfs/dbraw/zinc/82/32/41/401823241.db2.gz YOCGGXLGQOIZPZ-SFHVURJKSA-N 2 2 324.472 2.484 50 0 DEAALP CN(Cc1[nH+]ccn1C)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000019952522 401823242 /nfs/dbraw/zinc/82/32/42/401823242.db2.gz YOCGGXLGQOIZPZ-SFHVURJKSA-N 2 2 324.472 2.484 50 0 DEAALP COc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc(OC)c1OC ZINC000030909671 401867080 /nfs/dbraw/zinc/86/70/80/401867080.db2.gz KYCPBWJBDCLOBQ-LBPRGKRZSA-N 2 2 305.378 2.087 50 0 DEAALP c1[nH+]c2ccccn2c1CC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000082092562 401899832 /nfs/dbraw/zinc/89/98/32/401899832.db2.gz ZKRJYPXKKVZHEF-OAHLLOKOSA-N 2 2 315.417 2.195 50 0 DEAALP COC(=O)c1occc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004028 401978516 /nfs/dbraw/zinc/97/85/16/401978516.db2.gz ZFFHOGOPQPXCQT-ZDUSSCGKSA-N 2 2 317.389 2.254 50 0 DEAALP COC(=O)c1occc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004028 401978519 /nfs/dbraw/zinc/97/85/19/401978519.db2.gz ZFFHOGOPQPXCQT-ZDUSSCGKSA-N 2 2 317.389 2.254 50 0 DEAALP CC[NH+]1CCC(CC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000095365543 402028418 /nfs/dbraw/zinc/02/84/18/402028418.db2.gz HCNHKUUYQGJSFT-INIZCTEOSA-N 2 2 304.438 2.109 50 0 DEAALP O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972687 402039344 /nfs/dbraw/zinc/03/93/44/402039344.db2.gz KZNICRHYGRPNPP-UONOGXRCSA-N 2 2 321.446 2.228 50 0 DEAALP O[C@@H](COCc1cccs1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972687 402039348 /nfs/dbraw/zinc/03/93/48/402039348.db2.gz KZNICRHYGRPNPP-UONOGXRCSA-N 2 2 321.446 2.228 50 0 DEAALP COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000096179995 402064713 /nfs/dbraw/zinc/06/47/13/402064713.db2.gz OYPBLNUZMIXNSQ-HNNXBMFYSA-N 2 2 320.437 2.178 50 0 DEAALP COCCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000096179995 402064715 /nfs/dbraw/zinc/06/47/15/402064715.db2.gz OYPBLNUZMIXNSQ-HNNXBMFYSA-N 2 2 320.437 2.178 50 0 DEAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2Cl)CC1 ZINC000067471756 402160761 /nfs/dbraw/zinc/16/07/61/402160761.db2.gz PQKVPYVSKCUZDR-AWEZNQCLSA-N 2 2 323.868 2.324 50 0 DEAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2Cl)CC1 ZINC000067471756 402160764 /nfs/dbraw/zinc/16/07/64/402160764.db2.gz PQKVPYVSKCUZDR-AWEZNQCLSA-N 2 2 323.868 2.324 50 0 DEAALP C[C@@H]([NH3+])CC(=O)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000067674096 402167361 /nfs/dbraw/zinc/16/73/61/402167361.db2.gz MQVKMHPMQJRZHL-CQSZACIVSA-N 2 2 304.438 2.206 50 0 DEAALP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3ccc(F)cc3)[C@@H]2C1 ZINC000253417140 402664474 /nfs/dbraw/zinc/66/44/74/402664474.db2.gz VIYCJVJKNSCSMJ-CZUORRHYSA-N 2 2 305.397 2.180 50 0 DEAALP C[N@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3ccc(F)cc3)[C@@H]2C1 ZINC000253417140 402664476 /nfs/dbraw/zinc/66/44/76/402664476.db2.gz VIYCJVJKNSCSMJ-CZUORRHYSA-N 2 2 305.397 2.180 50 0 DEAALP C[NH+]1CC[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(F)cc3)[C@@H]2C1 ZINC000253417140 402664479 /nfs/dbraw/zinc/66/44/79/402664479.db2.gz VIYCJVJKNSCSMJ-CZUORRHYSA-N 2 2 305.397 2.180 50 0 DEAALP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(F)cc3)[C@@H]2C1 ZINC000253417140 402664481 /nfs/dbraw/zinc/66/44/81/402664481.db2.gz VIYCJVJKNSCSMJ-CZUORRHYSA-N 2 2 305.397 2.180 50 0 DEAALP Clc1c[nH+]ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000350257732 404354546 /nfs/dbraw/zinc/35/45/46/404354546.db2.gz WDAXAJRCBJUVEM-UHFFFAOYSA-N 2 2 304.781 2.001 50 0 DEAALP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC000426652990 405373480 /nfs/dbraw/zinc/37/34/80/405373480.db2.gz QFWOYDNBVMFGIB-ZDUSSCGKSA-N 2 2 309.373 2.255 50 0 DEAALP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)C1(C)C ZINC000404706052 802028540 /nfs/dbraw/zinc/02/85/40/802028540.db2.gz JFUSNEPREFQXDB-OLZOCXBDSA-N 2 2 308.426 2.165 50 0 DEAALP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)C12CCC2 ZINC000405218749 802044547 /nfs/dbraw/zinc/04/45/47/802044547.db2.gz LNSXFBSFLRMHGC-KGLIPLIRSA-N 2 2 320.437 2.309 50 0 DEAALP Cc1nc(N2CCC(CC[NH+]3CCOCC3)CC2)c(C)c(C)[nH+]1 ZINC000095416506 185358965 /nfs/dbraw/zinc/35/89/65/185358965.db2.gz XVHOYLOTQHBQLW-UHFFFAOYSA-N 2 2 318.465 2.341 50 0 DEAALP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H]([NH+](C)C)[C@@H](CO)C1 ZINC000075876334 355111054 /nfs/dbraw/zinc/11/10/54/355111054.db2.gz XNBVCKXMOJGJIY-IAGOWNOFSA-N 2 2 306.450 2.218 50 0 DEAALP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H]([NH+](C)C)[C@@H](CO)C1 ZINC000075876334 355111059 /nfs/dbraw/zinc/11/10/59/355111059.db2.gz XNBVCKXMOJGJIY-IAGOWNOFSA-N 2 2 306.450 2.218 50 0 DEAALP Cn1cc[nH+]c1CN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000078724160 355275826 /nfs/dbraw/zinc/27/58/26/355275826.db2.gz SOKIRUAWDDEBBC-UHFFFAOYSA-N 2 2 321.428 2.286 50 0 DEAALP COc1ccc2oc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2c1 ZINC000110697905 355745244 /nfs/dbraw/zinc/74/52/44/355745244.db2.gz LMXCSVHOAPXFTI-WMLDXEAASA-N 2 2 316.401 2.394 50 0 DEAALP COc1ccc2oc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2c1 ZINC000110697905 355745245 /nfs/dbraw/zinc/74/52/45/355745245.db2.gz LMXCSVHOAPXFTI-WMLDXEAASA-N 2 2 316.401 2.394 50 0 DEAALP COC(=O)c1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)oc1C ZINC000170603125 355987945 /nfs/dbraw/zinc/98/79/45/355987945.db2.gz HDTFLBMPDYQKKL-ZDUSSCGKSA-N 2 2 303.362 2.236 50 0 DEAALP COC(=O)c1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)oc1C ZINC000170603125 355987947 /nfs/dbraw/zinc/98/79/47/355987947.db2.gz HDTFLBMPDYQKKL-ZDUSSCGKSA-N 2 2 303.362 2.236 50 0 DEAALP COCc1nc([C@@H]2CCCCC[N@@H+]2C)n(-c2cc[nH+]cc2)n1 ZINC000670473684 540938608 /nfs/dbraw/zinc/93/86/08/540938608.db2.gz SFDPUFRSOQSSAC-AWEZNQCLSA-N 2 2 301.394 2.356 50 0 DEAALP COCc1nc([C@@H]2CCCCC[N@H+]2C)n(-c2cc[nH+]cc2)n1 ZINC000670473684 540938610 /nfs/dbraw/zinc/93/86/10/540938610.db2.gz SFDPUFRSOQSSAC-AWEZNQCLSA-N 2 2 301.394 2.356 50 0 DEAALP Cc1nc2c(c(=O)[nH]1)C[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000670473402 540938834 /nfs/dbraw/zinc/93/88/34/540938834.db2.gz DSRZOHVGGBBNER-UHFFFAOYSA-N 2 2 324.428 2.471 50 0 DEAALP Cc1nc2c(c(=O)[nH]1)C[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000670473402 540938836 /nfs/dbraw/zinc/93/88/36/540938836.db2.gz DSRZOHVGGBBNER-UHFFFAOYSA-N 2 2 324.428 2.471 50 0 DEAALP Cc1c[nH]c(C[NH+]2CCC(c3[nH+]ccn3C)CC2)c(C)c1=O ZINC000091602427 193078924 /nfs/dbraw/zinc/07/89/24/193078924.db2.gz UXDCRAXAZRVUSP-UHFFFAOYSA-N 2 2 300.406 2.105 50 0 DEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC000019218128 182108268 /nfs/dbraw/zinc/10/82/68/182108268.db2.gz YCLKWVCWITWWAT-AWEZNQCLSA-N 2 2 321.509 2.343 50 0 DEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC000019218128 182108271 /nfs/dbraw/zinc/10/82/71/182108271.db2.gz YCLKWVCWITWWAT-AWEZNQCLSA-N 2 2 321.509 2.343 50 0 DEAALP CC(=O)Nc1ccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000022025347 182304678 /nfs/dbraw/zinc/30/46/78/182304678.db2.gz QXBTWVWXUCAWPR-SFHVURJKSA-N 2 2 319.449 2.091 50 0 DEAALP CC(=O)Nc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000022025347 182304680 /nfs/dbraw/zinc/30/46/80/182304680.db2.gz QXBTWVWXUCAWPR-SFHVURJKSA-N 2 2 319.449 2.091 50 0 DEAALP [NH3+]C[C@@H]1CC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000065495832 184354770 /nfs/dbraw/zinc/35/47/70/184354770.db2.gz PXIQSGDGQYTMDE-JTQLQIEISA-N 2 2 300.859 2.177 50 0 DEAALP [NH3+]C[C@@H]1CC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000065495832 184354772 /nfs/dbraw/zinc/35/47/72/184354772.db2.gz PXIQSGDGQYTMDE-JTQLQIEISA-N 2 2 300.859 2.177 50 0 DEAALP C[C@@H](CCc1ccccc1)NC(=O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000002632818 401716058 /nfs/dbraw/zinc/71/60/58/401716058.db2.gz ZYKLQNXERKHGAV-INIZCTEOSA-N 2 2 317.477 2.150 50 0 DEAALP C[C@@H](CCc1ccccc1)NC(=O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000002632818 401716062 /nfs/dbraw/zinc/71/60/62/401716062.db2.gz ZYKLQNXERKHGAV-INIZCTEOSA-N 2 2 317.477 2.150 50 0 DEAALP Cn1cc[nH+]c1-c1cccc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000077445945 401815833 /nfs/dbraw/zinc/81/58/33/401815833.db2.gz RWOPQNFBSCPHRZ-UHFFFAOYSA-N 2 2 310.361 2.105 50 0 DEAALP COc1ccc(F)cc1C[N@@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077472196 401816270 /nfs/dbraw/zinc/81/62/70/401816270.db2.gz JTWOBVUACNBLJP-GOSISDBHSA-N 2 2 322.424 2.257 50 0 DEAALP COc1ccc(F)cc1C[N@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077472196 401816274 /nfs/dbraw/zinc/81/62/74/401816274.db2.gz JTWOBVUACNBLJP-GOSISDBHSA-N 2 2 322.424 2.257 50 0 DEAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc(C)s2)nc[nH+]1 ZINC000084290641 401904257 /nfs/dbraw/zinc/90/42/57/401904257.db2.gz QROFWRQFKJGIMZ-GFCCVEGCSA-N 2 2 318.450 2.042 50 0 DEAALP CCC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)[C@@H](C)C1 ZINC000089941565 401975627 /nfs/dbraw/zinc/97/56/27/401975627.db2.gz RCOCUPYDPDYETD-HOCLYGCPSA-N 2 2 314.433 2.379 50 0 DEAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000095376715 402029614 /nfs/dbraw/zinc/02/96/14/402029614.db2.gz OTRAJRIUWIERQR-KRWDZBQOSA-N 2 2 320.481 2.195 50 0 DEAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000095376715 402029617 /nfs/dbraw/zinc/02/96/17/402029617.db2.gz OTRAJRIUWIERQR-KRWDZBQOSA-N 2 2 320.481 2.195 50 0 DEAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000095376714 402029728 /nfs/dbraw/zinc/02/97/28/402029728.db2.gz OTRAJRIUWIERQR-QGZVFWFLSA-N 2 2 320.481 2.195 50 0 DEAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000095376714 402029731 /nfs/dbraw/zinc/02/97/31/402029731.db2.gz OTRAJRIUWIERQR-QGZVFWFLSA-N 2 2 320.481 2.195 50 0 DEAALP CCCn1cc[nH+]c1CNC(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000095383348 402031108 /nfs/dbraw/zinc/03/11/08/402031108.db2.gz VLLFQPQZNKDBPR-INIZCTEOSA-N 2 2 318.396 2.351 50 0 DEAALP COc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000095964879 402037838 /nfs/dbraw/zinc/03/78/38/402037838.db2.gz DJPKSGABMKQRFB-ZFWWWQNUSA-N 2 2 304.434 2.461 50 0 DEAALP COc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000095964879 402037842 /nfs/dbraw/zinc/03/78/42/402037842.db2.gz DJPKSGABMKQRFB-ZFWWWQNUSA-N 2 2 304.434 2.461 50 0 DEAALP CC1CC[NH+](C[C@@H](O)COc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000095974938 402040013 /nfs/dbraw/zinc/04/00/13/402040013.db2.gz XEQDENHFZZQZAV-QGZVFWFLSA-N 2 2 315.417 2.344 50 0 DEAALP O=C(OCC[NH+]1CCSCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097034343 402101103 /nfs/dbraw/zinc/10/11/03/402101103.db2.gz MEVLMPKCMGGWOF-UHFFFAOYSA-N 2 2 317.414 2.078 50 0 DEAALP Cc1cc[nH+]c(NC[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)c1 ZINC000097200981 402116121 /nfs/dbraw/zinc/11/61/21/402116121.db2.gz VJKCNASHBYJOFI-ZDUSSCGKSA-N 2 2 323.404 2.005 50 0 DEAALP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)CC1 ZINC000097743151 402131791 /nfs/dbraw/zinc/13/17/91/402131791.db2.gz CBRUTJOETTWURT-QGZVFWFLSA-N 3 2 314.433 2.275 50 0 DEAALP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)CC1 ZINC000097743151 402131795 /nfs/dbraw/zinc/13/17/95/402131795.db2.gz CBRUTJOETTWURT-QGZVFWFLSA-N 3 2 314.433 2.275 50 0 DEAALP C[C@H]([NH3+])CC(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000071315094 402272551 /nfs/dbraw/zinc/27/25/51/402272551.db2.gz TVQQDTSBAKZFKD-AWEZNQCLSA-N 2 2 312.417 2.072 50 0 DEAALP COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000071825272 402283537 /nfs/dbraw/zinc/28/35/37/402283537.db2.gz ZWYDCCAAPFNBQQ-HNNXBMFYSA-N 2 2 300.406 2.269 50 0 DEAALP COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000071825272 402283540 /nfs/dbraw/zinc/28/35/40/402283540.db2.gz ZWYDCCAAPFNBQQ-HNNXBMFYSA-N 2 2 300.406 2.269 50 0 DEAALP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000215702635 402284508 /nfs/dbraw/zinc/28/45/08/402284508.db2.gz IVTXAXOWVZOBMQ-CQSZACIVSA-N 2 2 308.470 2.107 50 0 DEAALP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000215702635 402284509 /nfs/dbraw/zinc/28/45/09/402284509.db2.gz IVTXAXOWVZOBMQ-CQSZACIVSA-N 2 2 308.470 2.107 50 0 DEAALP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000215702635 402284514 /nfs/dbraw/zinc/28/45/14/402284514.db2.gz IVTXAXOWVZOBMQ-CQSZACIVSA-N 2 2 308.470 2.107 50 0 DEAALP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000215702635 402284518 /nfs/dbraw/zinc/28/45/18/402284518.db2.gz IVTXAXOWVZOBMQ-CQSZACIVSA-N 2 2 308.470 2.107 50 0 DEAALP CCn1cc[nH+]c1CN(C)C(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000095392378 288716899 /nfs/dbraw/zinc/71/68/99/288716899.db2.gz PSAFVSLMRLNDDL-KRWDZBQOSA-N 2 2 314.433 2.473 50 0 DEAALP CC(C)[C@H](NC(=O)c1ccc(C[NH+](C)C)o1)c1[nH+]ccn1C ZINC000534674539 334321719 /nfs/dbraw/zinc/32/17/19/334321719.db2.gz ZMFYQNAJNFATBQ-AWEZNQCLSA-N 2 2 304.394 2.202 50 0 DEAALP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)s1 ZINC000585081882 789678654 /nfs/dbraw/zinc/67/86/54/789678654.db2.gz UHCAWEDDWMPDMR-GOEBONIOSA-N 2 2 318.446 2.220 50 0 DEAALP Cc1ccc(OCC[N@H+]2CCC[C@](CO)(C[NH+](C)C)C2)c(C)c1 ZINC001506415702 1061961041 /nfs/dbraw/zinc/96/10/41/1061961041.db2.gz BTQRSCLFNPVLMX-IBGZPJMESA-N 2 2 320.477 2.318 50 0 DEAALP Cc1ccc(OCC[N@@H+]2CCC[C@](CO)(C[NH+](C)C)C2)c(C)c1 ZINC001506415702 1061961057 /nfs/dbraw/zinc/96/10/57/1061961057.db2.gz BTQRSCLFNPVLMX-IBGZPJMESA-N 2 2 320.477 2.318 50 0 DEAALP C[NH+]1CCN(C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000095410002 185356921 /nfs/dbraw/zinc/35/69/21/185356921.db2.gz CEJCGJISQFJPGI-UHFFFAOYSA-N 2 2 323.440 2.140 50 0 DEAALP Cc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCCn4cc[nH+]c43)C2=O)cc1 ZINC000084150598 539393095 /nfs/dbraw/zinc/39/30/95/539393095.db2.gz CPSATAICTFQLPE-RDJZCZTQSA-N 2 2 324.428 2.464 50 0 DEAALP CC[N@H+](CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)C1CC1 ZINC000179163659 539638931 /nfs/dbraw/zinc/63/89/31/539638931.db2.gz UZLFFBIJILTVRB-UHFFFAOYSA-N 2 2 305.422 2.150 50 0 DEAALP CC[N@@H+](CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)C1CC1 ZINC000179163659 539638935 /nfs/dbraw/zinc/63/89/35/539638935.db2.gz UZLFFBIJILTVRB-UHFFFAOYSA-N 2 2 305.422 2.150 50 0 DEAALP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)N1CCc2ccccc21 ZINC000083927594 192390387 /nfs/dbraw/zinc/39/03/87/192390387.db2.gz JLRQCNHGNAQXHW-ZBFHGGJFSA-N 2 2 324.428 2.328 50 0 DEAALP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3Cn3cncn3)cc2)c[nH+]1 ZINC000069620989 354870930 /nfs/dbraw/zinc/87/09/30/354870930.db2.gz KTUGQWKFRSSGGU-KRWDZBQOSA-N 2 2 308.389 2.128 50 0 DEAALP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3Cn3cncn3)cc2)c[nH+]1 ZINC000069620989 354870935 /nfs/dbraw/zinc/87/09/35/354870935.db2.gz KTUGQWKFRSSGGU-KRWDZBQOSA-N 2 2 308.389 2.128 50 0 DEAALP CCC[C@H]1C[N@H+](Cc2c[nH+]c(C)n2C)C[C@@H]1NC(=O)C1CCC1 ZINC000091468657 193060333 /nfs/dbraw/zinc/06/03/33/193060333.db2.gz BUQABOCTOTVXHI-RDJZCZTQSA-N 2 2 318.465 2.245 50 0 DEAALP CCC[C@H]1C[N@@H+](Cc2c[nH+]c(C)n2C)C[C@@H]1NC(=O)C1CCC1 ZINC000091468657 193060335 /nfs/dbraw/zinc/06/03/35/193060335.db2.gz BUQABOCTOTVXHI-RDJZCZTQSA-N 2 2 318.465 2.245 50 0 DEAALP CC(C)([NH3+])C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000261705933 145218468 /nfs/dbraw/zinc/21/84/68/145218468.db2.gz ILFZDQSHIQKDNA-CXAGYDPISA-N 2 2 304.438 2.113 50 0 DEAALP CC(C)([NH3+])C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000261705933 145218469 /nfs/dbraw/zinc/21/84/69/145218469.db2.gz ILFZDQSHIQKDNA-CXAGYDPISA-N 2 2 304.438 2.113 50 0 DEAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000072255117 401704084 /nfs/dbraw/zinc/70/40/84/401704084.db2.gz PYOZJMPLVYQFRS-WMZOPIPTSA-N 2 2 324.428 2.151 50 0 DEAALP CCn1cc[nH+]c1CN(C)C(=O)[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000095360875 402027588 /nfs/dbraw/zinc/02/75/88/402027588.db2.gz ZBZXLRADKDFBCN-KRWDZBQOSA-N 2 2 314.433 2.473 50 0 DEAALP C[NH+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC000095387965 402031828 /nfs/dbraw/zinc/03/18/28/402031828.db2.gz MGZDASJQVNGQNK-MRXNPFEDSA-N 2 2 321.440 2.419 50 0 DEAALP c1cn(CCC[N@@H+](Cc2cccnc2)C[C@@H]2CCOC2)c[nH+]1 ZINC000055344578 402080723 /nfs/dbraw/zinc/08/07/23/402080723.db2.gz RAQQRTOXBSHLAU-KRWDZBQOSA-N 2 2 300.406 2.207 50 0 DEAALP c1cn(CCC[N@H+](Cc2cccnc2)C[C@@H]2CCOC2)c[nH+]1 ZINC000055344578 402080726 /nfs/dbraw/zinc/08/07/26/402080726.db2.gz RAQQRTOXBSHLAU-KRWDZBQOSA-N 2 2 300.406 2.207 50 0 DEAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000097578644 402127335 /nfs/dbraw/zinc/12/73/35/402127335.db2.gz RLBRFCZGZUFXEN-CQSZACIVSA-N 2 2 311.832 2.301 50 0 DEAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000097578644 402127337 /nfs/dbraw/zinc/12/73/37/402127337.db2.gz RLBRFCZGZUFXEN-CQSZACIVSA-N 2 2 311.832 2.301 50 0 DEAALP Cc1ccc([C@@H](CNC(=O)[C@@H](C)n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000067266992 402155990 /nfs/dbraw/zinc/15/59/90/402155990.db2.gz QPVVNSMHCSKXLX-GDBMZVCRSA-N 2 2 300.406 2.172 50 0 DEAALP CCn1cc[nH+]c1CN1CC[NH+](CCc2cccs2)CC1 ZINC000069778703 402243534 /nfs/dbraw/zinc/24/35/34/402243534.db2.gz AHPOZVNUNSPRJP-UHFFFAOYSA-N 2 2 304.463 2.325 50 0 DEAALP C[NH+](C)C1CC[NH+](C(C)(C)CNC(=O)Nc2cccnc2)CC1 ZINC000069033516 402211827 /nfs/dbraw/zinc/21/18/27/402211827.db2.gz WJWSLMBWDOBMSD-UHFFFAOYSA-N 2 2 319.453 2.008 50 0 DEAALP Cc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1-n1cncn1 ZINC000195573505 402273318 /nfs/dbraw/zinc/27/33/18/402273318.db2.gz YXBUEWDVWAHGJU-KRWDZBQOSA-N 2 2 322.416 2.437 50 0 DEAALP Cc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1-n1cncn1 ZINC000195573505 402273319 /nfs/dbraw/zinc/27/33/19/402273319.db2.gz YXBUEWDVWAHGJU-KRWDZBQOSA-N 2 2 322.416 2.437 50 0 DEAALP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562597 402344012 /nfs/dbraw/zinc/34/40/12/402344012.db2.gz GFSQRHSKCKORIG-CVEARBPZSA-N 2 2 307.482 2.242 50 0 DEAALP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562597 402344015 /nfs/dbraw/zinc/34/40/15/402344015.db2.gz GFSQRHSKCKORIG-CVEARBPZSA-N 2 2 307.482 2.242 50 0 DEAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000170590939 402505931 /nfs/dbraw/zinc/50/59/31/402505931.db2.gz ZBOVWKMWYYDZRF-GFCCVEGCSA-N 2 2 301.394 2.135 50 0 DEAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000170590939 402505935 /nfs/dbraw/zinc/50/59/35/402505935.db2.gz ZBOVWKMWYYDZRF-GFCCVEGCSA-N 2 2 301.394 2.135 50 0 DEAALP C[C@@H]1CN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)[NH2+]1 ZINC000255205186 402681624 /nfs/dbraw/zinc/68/16/24/402681624.db2.gz VHQNSNVRCKGHJT-ZMAHGOAUSA-N 2 2 310.401 2.094 50 0 DEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000191992816 402703128 /nfs/dbraw/zinc/70/31/28/402703128.db2.gz ROSZULBSKVDSHB-HOCLYGCPSA-N 2 2 312.417 2.267 50 0 DEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000191992816 402703132 /nfs/dbraw/zinc/70/31/32/402703132.db2.gz ROSZULBSKVDSHB-HOCLYGCPSA-N 2 2 312.417 2.267 50 0 DEAALP CC(C)(C)CN1CCC[C@H]([N@@H+]2CC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000583651527 405779954 /nfs/dbraw/zinc/77/99/54/405779954.db2.gz OKPMZVDIMNESRT-KGLIPLIRSA-N 2 2 304.438 2.236 50 0 DEAALP CC(C)(C)CN1CCC[C@H]([N@H+]2CC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000583651527 405779961 /nfs/dbraw/zinc/77/99/61/405779961.db2.gz OKPMZVDIMNESRT-KGLIPLIRSA-N 2 2 304.438 2.236 50 0 DEAALP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000108179812 276175017 /nfs/dbraw/zinc/17/50/17/276175017.db2.gz DSJSNJOHAOUPTL-HUUCEWRRSA-N 2 2 319.449 2.486 50 0 DEAALP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000108179812 276175020 /nfs/dbraw/zinc/17/50/20/276175020.db2.gz DSJSNJOHAOUPTL-HUUCEWRRSA-N 2 2 319.449 2.486 50 0 DEAALP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069520278 289344711 /nfs/dbraw/zinc/34/47/11/289344711.db2.gz GFSQRHSKCKORIG-HZPDHXFCSA-N 2 2 307.482 2.242 50 0 DEAALP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069520278 289344718 /nfs/dbraw/zinc/34/47/18/289344718.db2.gz GFSQRHSKCKORIG-HZPDHXFCSA-N 2 2 307.482 2.242 50 0 DEAALP COCC[N@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952990784 792872616 /nfs/dbraw/zinc/87/26/16/792872616.db2.gz ZBPRWYPUNRINIJ-UHFFFAOYSA-N 2 2 319.449 2.189 50 0 DEAALP COCC[N@@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952990784 792872626 /nfs/dbraw/zinc/87/26/26/792872626.db2.gz ZBPRWYPUNRINIJ-UHFFFAOYSA-N 2 2 319.449 2.189 50 0 DEAALP Cc1[nH+]cc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)n1-c1ccccc1 ZINC000084050497 539391894 /nfs/dbraw/zinc/39/18/94/539391894.db2.gz KAMRPCROACOCBT-AWEZNQCLSA-N 2 2 310.401 2.034 50 0 DEAALP CC(C)c1nnc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000170055038 539614505 /nfs/dbraw/zinc/61/45/05/539614505.db2.gz FYIBLDMGKHUHNR-ZDUSSCGKSA-N 2 2 303.410 2.381 50 0 DEAALP CC(C)c1nnc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000170055038 539614509 /nfs/dbraw/zinc/61/45/09/539614509.db2.gz FYIBLDMGKHUHNR-ZDUSSCGKSA-N 2 2 303.410 2.381 50 0 DEAALP Cc1noc(CC[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)n1 ZINC000097095427 355701043 /nfs/dbraw/zinc/70/10/43/355701043.db2.gz AUKORDGPVITEPL-PBHICJAKSA-N 2 2 314.433 2.421 50 0 DEAALP Cc1noc(CC[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000097095427 355701047 /nfs/dbraw/zinc/70/10/47/355701047.db2.gz AUKORDGPVITEPL-PBHICJAKSA-N 2 2 314.433 2.421 50 0 DEAALP COc1cccc([C@@H]2CC[N@H+](CCc3[nH+]ccn3C)C2)c1OC ZINC000670446515 540934784 /nfs/dbraw/zinc/93/47/84/540934784.db2.gz UYZCBZXTTFEMHN-CQSZACIVSA-N 2 2 315.417 2.469 50 0 DEAALP COc1cccc([C@@H]2CC[N@@H+](CCc3[nH+]ccn3C)C2)c1OC ZINC000670446515 540934787 /nfs/dbraw/zinc/93/47/87/540934787.db2.gz UYZCBZXTTFEMHN-CQSZACIVSA-N 2 2 315.417 2.469 50 0 DEAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](CC2CC2)CC1 ZINC000091689968 193092011 /nfs/dbraw/zinc/09/20/11/193092011.db2.gz WSRLAUQUVNUXOO-UHFFFAOYSA-N 2 2 314.437 2.132 50 0 DEAALP Cc1c[nH]c(CN(C)c2cc(C3CC([NH3+])C3)nc(C3CC3)n2)[nH+]1 ZINC000218868652 201545732 /nfs/dbraw/zinc/54/57/32/201545732.db2.gz HKKKGQICTMHKCJ-UHFFFAOYSA-N 2 2 312.421 2.227 50 0 DEAALP CC[N@@H+]1CCC[C@@H](C[NH+]2CCC([NH+]3CCSCC3)CC2)C1 ZINC000019790121 182149269 /nfs/dbraw/zinc/14/92/69/182149269.db2.gz DSAMRWASCVTBDR-MRXNPFEDSA-N 3 2 311.539 2.232 50 0 DEAALP CC[N@H+]1CCC[C@@H](C[NH+]2CCC([NH+]3CCSCC3)CC2)C1 ZINC000019790121 182149271 /nfs/dbraw/zinc/14/92/71/182149271.db2.gz DSAMRWASCVTBDR-MRXNPFEDSA-N 3 2 311.539 2.232 50 0 DEAALP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493264291 249264397 /nfs/dbraw/zinc/26/43/97/249264397.db2.gz UVCWSZCUYVEOJJ-ULJGCTHBSA-N 2 2 310.401 2.224 50 0 DEAALP COc1c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)nn1C ZINC000058299762 184102850 /nfs/dbraw/zinc/10/28/50/184102850.db2.gz GCNJUZHPIOAHRQ-UHFFFAOYSA-N 2 2 311.389 2.213 50 0 DEAALP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1NCC[NH+](C)C ZINC000000071612 401687760 /nfs/dbraw/zinc/68/77/60/401687760.db2.gz OJNBMRKVUUJXRF-UHFFFAOYSA-N 2 2 317.389 2.394 50 0 DEAALP O[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCOC1 ZINC000090850329 401988217 /nfs/dbraw/zinc/98/82/17/401988217.db2.gz GWLNDUKJARUBBJ-KRWDZBQOSA-N 2 2 324.852 2.045 50 0 DEAALP C[NH+](C)[C@H](C(=O)NCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC000095374647 402029916 /nfs/dbraw/zinc/02/99/16/402029916.db2.gz VTBBPXQUYYCSIB-INIZCTEOSA-N 2 2 307.413 2.031 50 0 DEAALP c1cc(N2CCCC2)nc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]1 ZINC000095961953 402037224 /nfs/dbraw/zinc/03/72/24/402037224.db2.gz QLLQJINNPJZCBP-UHFFFAOYSA-N 2 2 315.465 2.389 50 0 DEAALP CC(C)[N@H+](C)CC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000096436751 402086657 /nfs/dbraw/zinc/08/66/57/402086657.db2.gz PAUBUNWJOAPRLJ-UHFFFAOYSA-N 2 2 300.406 2.103 50 0 DEAALP CC(C)[N@@H+](C)CC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000096436751 402086659 /nfs/dbraw/zinc/08/66/59/402086659.db2.gz PAUBUNWJOAPRLJ-UHFFFAOYSA-N 2 2 300.406 2.103 50 0 DEAALP CN(Cc1cccs1)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000096445720 402088648 /nfs/dbraw/zinc/08/86/48/402088648.db2.gz SLVJCJVBEDGTJL-UHFFFAOYSA-N 2 2 318.446 2.240 50 0 DEAALP CCSCCC(=O)NCC(C)(C)[NH+]1CCC([NH+](C)C)CC1 ZINC000068502495 402200199 /nfs/dbraw/zinc/20/01/99/402200199.db2.gz WZDXRVSSAVELSW-UHFFFAOYSA-N 2 2 315.527 2.050 50 0 DEAALP [NH3+]C1CC[NH+](Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 ZINC000067743073 402171099 /nfs/dbraw/zinc/17/10/99/402171099.db2.gz ZYFMCRAKTTUEJK-UHFFFAOYSA-N 2 2 307.401 2.319 50 0 DEAALP Cc1cccn2cc(CC(=O)NCC[N@H+]3CCC[C@@H](C)C3)[nH+]c12 ZINC000069814922 402245558 /nfs/dbraw/zinc/24/55/58/402245558.db2.gz FQMSNBSJVRUWHM-CQSZACIVSA-N 2 2 314.433 2.033 50 0 DEAALP Cc1cccn2cc(CC(=O)NCC[N@@H+]3CCC[C@@H](C)C3)[nH+]c12 ZINC000069814922 402245560 /nfs/dbraw/zinc/24/55/60/402245560.db2.gz FQMSNBSJVRUWHM-CQSZACIVSA-N 2 2 314.433 2.033 50 0 DEAALP O=C(NCc1[nH]cc[nH+]1)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000215750384 402284960 /nfs/dbraw/zinc/28/49/60/402284960.db2.gz XTEKPMDFAUCZMV-MRXNPFEDSA-N 2 2 316.380 2.392 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)C[N@H+](C)Cc2ccc(C)cc2)[nH+]1 ZINC000220365654 402301483 /nfs/dbraw/zinc/30/14/83/402301483.db2.gz LRBFAZWRKOGHTL-UHFFFAOYSA-N 2 2 300.406 2.117 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)C[N@@H+](C)Cc2ccc(C)cc2)[nH+]1 ZINC000220365654 402301484 /nfs/dbraw/zinc/30/14/84/402301484.db2.gz LRBFAZWRKOGHTL-UHFFFAOYSA-N 2 2 300.406 2.117 50 0 DEAALP CCCc1nc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cs1 ZINC000223290086 402310233 /nfs/dbraw/zinc/31/02/33/402310233.db2.gz SUKQUWRKFCFAMN-UHFFFAOYSA-N 2 2 318.450 2.285 50 0 DEAALP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)nc(C)[nH+]1 ZINC000229881821 402345528 /nfs/dbraw/zinc/34/55/28/402345528.db2.gz LRDNEJJHFMTDLP-MSOLQXFVSA-N 2 2 324.428 2.183 50 0 DEAALP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)nc(C)[nH+]1 ZINC000229881821 402345530 /nfs/dbraw/zinc/34/55/30/402345530.db2.gz LRDNEJJHFMTDLP-MSOLQXFVSA-N 2 2 324.428 2.183 50 0 DEAALP Cc1ccsc1CCNc1cc([C@H]2C[C@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244659565 402448171 /nfs/dbraw/zinc/44/81/71/402448171.db2.gz HEXSQEFZSQASPE-XYPYZODXSA-N 2 2 303.435 2.288 50 0 DEAALP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000249291866 402625166 /nfs/dbraw/zinc/62/51/66/402625166.db2.gz ALCAPYHHFOCNNY-HZPDHXFCSA-N 2 2 316.511 2.150 50 0 DEAALP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000249291866 402625168 /nfs/dbraw/zinc/62/51/68/402625168.db2.gz ALCAPYHHFOCNNY-HZPDHXFCSA-N 2 2 316.511 2.150 50 0 DEAALP CC(C)Cn1ncnc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000182802456 402717629 /nfs/dbraw/zinc/71/76/29/402717629.db2.gz VZMKXEISFPPISL-HNNXBMFYSA-N 2 2 314.437 2.263 50 0 DEAALP CC(C)Cn1ncnc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000182802456 402717632 /nfs/dbraw/zinc/71/76/32/402717632.db2.gz VZMKXEISFPPISL-HNNXBMFYSA-N 2 2 314.437 2.263 50 0 DEAALP Cc1[nH]c2ccc(CC(=O)NCC(C)(C)C[NH+](C)C)cc2[nH+]1 ZINC000299795236 403577612 /nfs/dbraw/zinc/57/76/12/403577612.db2.gz MLGSZRWTNBFNIZ-UHFFFAOYSA-N 2 2 302.422 2.118 50 0 DEAALP Cc1[nH]c2cc(CC(=O)NCC(C)(C)C[NH+](C)C)ccc2[nH+]1 ZINC000299795236 403577614 /nfs/dbraw/zinc/57/76/14/403577614.db2.gz MLGSZRWTNBFNIZ-UHFFFAOYSA-N 2 2 302.422 2.118 50 0 DEAALP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000289436441 403962955 /nfs/dbraw/zinc/96/29/55/403962955.db2.gz SQCWTLFTCACGFN-HNNXBMFYSA-N 2 2 319.449 2.489 50 0 DEAALP Cn1cc[nH+]c1-c1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000426440208 405360069 /nfs/dbraw/zinc/36/00/69/405360069.db2.gz CJFMQUKHFIWBTG-UHFFFAOYSA-N 2 2 312.417 2.303 50 0 DEAALP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000241897279 534118054 /nfs/dbraw/zinc/11/80/54/534118054.db2.gz TXGHUHMIVOIEGD-VHDGCEQUSA-N 2 2 320.458 2.451 50 0 DEAALP COC(=O)c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000241897279 534118058 /nfs/dbraw/zinc/11/80/58/534118058.db2.gz TXGHUHMIVOIEGD-VHDGCEQUSA-N 2 2 320.458 2.451 50 0 DEAALP COC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000241897279 534118060 /nfs/dbraw/zinc/11/80/60/534118060.db2.gz TXGHUHMIVOIEGD-VHDGCEQUSA-N 2 2 320.458 2.451 50 0 DEAALP COC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000241897279 534118063 /nfs/dbraw/zinc/11/80/63/534118063.db2.gz TXGHUHMIVOIEGD-VHDGCEQUSA-N 2 2 320.458 2.451 50 0 DEAALP C[NH+](C)CCCC(C)(C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000585121301 789707780 /nfs/dbraw/zinc/70/77/80/789707780.db2.gz LJCZPKJHELIGSX-OAHLLOKOSA-N 2 2 321.469 2.027 50 0 DEAALP C[NH+](C)CCCC(C)(C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000585121301 789707793 /nfs/dbraw/zinc/70/77/93/789707793.db2.gz LJCZPKJHELIGSX-OAHLLOKOSA-N 2 2 321.469 2.027 50 0 DEAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]C1CC[NH+](C2CCOCC2)CC1 ZINC000823557089 1090689113 /nfs/dbraw/zinc/68/91/13/1090689113.db2.gz AXRGPOCYWUOXSH-OAHLLOKOSA-N 3 2 320.481 2.067 50 0 DEAALP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000004389303 181105868 /nfs/dbraw/zinc/10/58/68/181105868.db2.gz HZFYFSXQPFAKQP-CQSZACIVSA-N 2 2 302.340 2.164 50 0 DEAALP CN1C(=O)CCc2cc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)ccc21 ZINC000188412176 200242192 /nfs/dbraw/zinc/24/21/92/200242192.db2.gz CYRYHDQUOBJXQE-QGZVFWFLSA-N 2 2 324.428 2.457 50 0 DEAALP CN1C(=O)CCc2cc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)ccc21 ZINC000188412176 200242193 /nfs/dbraw/zinc/24/21/93/200242193.db2.gz CYRYHDQUOBJXQE-QGZVFWFLSA-N 2 2 324.428 2.457 50 0 DEAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000091548113 193071640 /nfs/dbraw/zinc/07/16/40/193071640.db2.gz XKPHYXHJNJWXTH-CYBMUJFWSA-N 2 2 306.435 2.366 50 0 DEAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000091548113 193071642 /nfs/dbraw/zinc/07/16/42/193071642.db2.gz XKPHYXHJNJWXTH-CYBMUJFWSA-N 2 2 306.435 2.366 50 0 DEAALP CC[N@@H+]1CCC[C@H](C[NH+]2CCC([NH+]3CCSCC3)CC2)C1 ZINC000019790122 182149380 /nfs/dbraw/zinc/14/93/80/182149380.db2.gz DSAMRWASCVTBDR-INIZCTEOSA-N 3 2 311.539 2.232 50 0 DEAALP CC[N@H+]1CCC[C@H](C[NH+]2CCC([NH+]3CCSCC3)CC2)C1 ZINC000019790122 182149381 /nfs/dbraw/zinc/14/93/81/182149381.db2.gz DSAMRWASCVTBDR-INIZCTEOSA-N 3 2 311.539 2.232 50 0 DEAALP Cc1[nH+]ccn1C[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000065468762 184350587 /nfs/dbraw/zinc/35/05/87/184350587.db2.gz KAKTWVMWOMGOSF-HNNXBMFYSA-N 3 2 313.449 2.229 50 0 DEAALP CC[C@H](c1nnc(SCC[NH3+])n1Cc1ccccc1)[NH+](C)C ZINC000008428545 401752841 /nfs/dbraw/zinc/75/28/41/401752841.db2.gz NVJILNXJONFRJX-CQSZACIVSA-N 2 2 319.478 2.390 50 0 DEAALP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008706500 401755338 /nfs/dbraw/zinc/75/53/38/401755338.db2.gz YQFXQFNEYLNEMA-KBPBESRZSA-N 2 2 300.406 2.390 50 0 DEAALP CCn1cc[nH+]c1CN(C)C(=O)[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000095383963 402031153 /nfs/dbraw/zinc/03/11/53/402031153.db2.gz MAAXHOVKSBZAIQ-QGZVFWFLSA-N 2 2 314.433 2.473 50 0 DEAALP CCc1nc2n(n1)CCC[C@H]2[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000095423691 402032690 /nfs/dbraw/zinc/03/26/90/402032690.db2.gz LNOKRIDPCLJFOS-OAHLLOKOSA-N 2 2 305.470 2.385 50 0 DEAALP CC(C)c1noc([C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000051959551 402038071 /nfs/dbraw/zinc/03/80/71/402038071.db2.gz UCJULLUZBSBEKY-AWEZNQCLSA-N 2 2 322.453 2.298 50 0 DEAALP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000095972694 402039279 /nfs/dbraw/zinc/03/92/79/402039279.db2.gz SMZPHJMOQPFCLU-HOTGVXAUSA-N 2 2 315.417 2.337 50 0 DEAALP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000095972694 402039283 /nfs/dbraw/zinc/03/92/83/402039283.db2.gz SMZPHJMOQPFCLU-HOTGVXAUSA-N 2 2 315.417 2.337 50 0 DEAALP CCc1noc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000097200924 402115861 /nfs/dbraw/zinc/11/58/61/402115861.db2.gz JOMWVOKCUOUTQH-ZDUSSCGKSA-N 2 2 301.394 2.269 50 0 DEAALP CCc1noc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000097200924 402115865 /nfs/dbraw/zinc/11/58/65/402115865.db2.gz JOMWVOKCUOUTQH-ZDUSSCGKSA-N 2 2 301.394 2.269 50 0 DEAALP CSc1ccc(-c2cc(N3CC[NH+](C)CC3)nc(N)[nH+]2)cc1 ZINC000097632132 402128591 /nfs/dbraw/zinc/12/85/91/402128591.db2.gz VMQQQGSBTMKBAC-UHFFFAOYSA-N 2 2 315.446 2.200 50 0 DEAALP [NH3+][C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000097915402 402133025 /nfs/dbraw/zinc/13/30/25/402133025.db2.gz YWTFXLIQZIEXLN-SFHVURJKSA-N 2 2 309.413 2.031 50 0 DEAALP Cc1ccc([C@@H](CNC(=O)[C@H](C)n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000067266997 402155806 /nfs/dbraw/zinc/15/58/06/402155806.db2.gz QPVVNSMHCSKXLX-GOEBONIOSA-N 2 2 300.406 2.172 50 0 DEAALP C[C@H](C[NH+]1CCC2(CC1)C(=O)NCCC[N@H+]2C)c1ccccc1 ZINC000067956208 402180295 /nfs/dbraw/zinc/18/02/95/402180295.db2.gz IRMWVPGVEYULGP-MRXNPFEDSA-N 2 2 315.461 2.076 50 0 DEAALP C[C@H](C[NH+]1CCC2(CC1)C(=O)NCCC[N@@H+]2C)c1ccccc1 ZINC000067956208 402180298 /nfs/dbraw/zinc/18/02/98/402180298.db2.gz IRMWVPGVEYULGP-MRXNPFEDSA-N 2 2 315.461 2.076 50 0 DEAALP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000069737775 402241205 /nfs/dbraw/zinc/24/12/05/402241205.db2.gz KXIAEGPXMPARAW-QGZVFWFLSA-N 2 2 316.449 2.008 50 0 DEAALP Cc1c[nH]c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)o2)[nH+]1 ZINC000534574456 334287480 /nfs/dbraw/zinc/28/74/80/334287480.db2.gz QRMGVKBALGXSFK-GFCCVEGCSA-N 2 2 302.378 2.398 50 0 DEAALP CC(C)c1noc([C@@H]2CCC[N@H+](CCc3[nH+]ccn3C)C2)n1 ZINC001506429388 1061976328 /nfs/dbraw/zinc/97/63/28/1061976328.db2.gz XUNUHZSGRINUCJ-CYBMUJFWSA-N 2 2 303.410 2.349 50 0 DEAALP CC(C)c1noc([C@@H]2CCC[N@@H+](CCc3[nH+]ccn3C)C2)n1 ZINC001506429388 1061976347 /nfs/dbraw/zinc/97/63/47/1061976347.db2.gz XUNUHZSGRINUCJ-CYBMUJFWSA-N 2 2 303.410 2.349 50 0 DEAALP OCCn1c2ccccc2[nH+]c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095510587 185376311 /nfs/dbraw/zinc/37/63/11/185376311.db2.gz IFXKIEZZQBEQFR-ZDUSSCGKSA-N 2 2 311.389 2.136 50 0 DEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000067878506 190730688 /nfs/dbraw/zinc/73/06/88/190730688.db2.gz WNBPIDRKAWNFFW-HNNXBMFYSA-N 2 2 312.417 2.297 50 0 DEAALP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3Cn3cncn3)cc2)c[nH+]1 ZINC000069620986 354871175 /nfs/dbraw/zinc/87/11/75/354871175.db2.gz KTUGQWKFRSSGGU-QGZVFWFLSA-N 2 2 308.389 2.128 50 0 DEAALP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3Cn3cncn3)cc2)c[nH+]1 ZINC000069620986 354871177 /nfs/dbraw/zinc/87/11/77/354871177.db2.gz KTUGQWKFRSSGGU-QGZVFWFLSA-N 2 2 308.389 2.128 50 0 DEAALP C[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H]1C[NH3+] ZINC000237644414 202315289 /nfs/dbraw/zinc/31/52/89/202315289.db2.gz BNUQVIBGXIHXIS-YOEHRIQHSA-N 2 2 312.417 2.131 50 0 DEAALP Cn1cncc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000237932355 202395274 /nfs/dbraw/zinc/39/52/74/202395274.db2.gz KLGHNNXRWZITRU-AWEZNQCLSA-N 2 2 304.463 2.483 50 0 DEAALP Cn1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000237932355 202395281 /nfs/dbraw/zinc/39/52/81/202395281.db2.gz KLGHNNXRWZITRU-AWEZNQCLSA-N 2 2 304.463 2.483 50 0 DEAALP Cc1[nH+]cn(CC[NH2+]C2CC[NH+](Cc3ccco3)CC2)c1C ZINC000670435296 540932520 /nfs/dbraw/zinc/93/25/20/540932520.db2.gz BGDLOCACMXKRLC-UHFFFAOYSA-N 3 2 302.422 2.347 50 0 DEAALP COc1cc(OC)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c(OC)c1 ZINC000022820182 182335839 /nfs/dbraw/zinc/33/58/39/182335839.db2.gz GTDLNMOVNBCYPM-UHFFFAOYSA-N 2 2 320.433 2.429 50 0 DEAALP O=C1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)CN1Cc1cccc2ccccc21 ZINC000012315098 401783001 /nfs/dbraw/zinc/78/30/01/401783001.db2.gz UDXTVQAQVVURGK-MRXNPFEDSA-N 2 2 320.396 2.454 50 0 DEAALP O=C1[C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCN1c1ccccc1 ZINC000089845609 401967822 /nfs/dbraw/zinc/96/78/22/401967822.db2.gz LHRMDPPDGZJSCV-ZBFHGGJFSA-N 2 2 310.401 2.156 50 0 DEAALP O=C1[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCN1c1ccccc1 ZINC000089845608 401967828 /nfs/dbraw/zinc/96/78/28/401967828.db2.gz LHRMDPPDGZJSCV-GOEBONIOSA-N 2 2 310.401 2.156 50 0 DEAALP C[NH+](C)[C@@H](C(=O)NCC[NH+]1CCCCCC1)c1cccc(F)c1 ZINC000095365856 402028370 /nfs/dbraw/zinc/02/83/70/402028370.db2.gz SYBZMWYROFXSNE-QGZVFWFLSA-N 2 2 321.440 2.421 50 0 DEAALP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000095964880 402037917 /nfs/dbraw/zinc/03/79/17/402037917.db2.gz DJPKSGABMKQRFB-UKRRQHHQSA-N 2 2 304.434 2.461 50 0 DEAALP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000095964880 402037919 /nfs/dbraw/zinc/03/79/19/402037919.db2.gz DJPKSGABMKQRFB-UKRRQHHQSA-N 2 2 304.434 2.461 50 0 DEAALP O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095972692 402039146 /nfs/dbraw/zinc/03/91/46/402039146.db2.gz NFHOOECITZZHNY-IAGOWNOFSA-N 2 2 315.417 2.167 50 0 DEAALP O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095972692 402039147 /nfs/dbraw/zinc/03/91/47/402039147.db2.gz NFHOOECITZZHNY-IAGOWNOFSA-N 2 2 315.417 2.167 50 0 DEAALP Cc1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccnc2)[nH]n1 ZINC000055282190 402078664 /nfs/dbraw/zinc/07/86/64/402078664.db2.gz QSJYAKMJTHRZDC-UHFFFAOYSA-N 2 2 310.405 2.402 50 0 DEAALP Cc1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccnc2)[nH]n1 ZINC000055282190 402078667 /nfs/dbraw/zinc/07/86/67/402078667.db2.gz QSJYAKMJTHRZDC-UHFFFAOYSA-N 2 2 310.405 2.402 50 0 DEAALP C[C@@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)C[N@@H+]1C1CC1 ZINC000097081086 402104502 /nfs/dbraw/zinc/10/45/02/402104502.db2.gz QKSQDTVLHBAYML-OCCSQVGLSA-N 2 2 306.479 2.327 50 0 DEAALP C[C@@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)C[N@H+]1C1CC1 ZINC000097081086 402104504 /nfs/dbraw/zinc/10/45/04/402104504.db2.gz QKSQDTVLHBAYML-OCCSQVGLSA-N 2 2 306.479 2.327 50 0 DEAALP Cc1cc[nH+]c(NC[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)c1 ZINC000097200982 402116368 /nfs/dbraw/zinc/11/63/68/402116368.db2.gz VJKCNASHBYJOFI-CYBMUJFWSA-N 2 2 323.404 2.005 50 0 DEAALP C[NH+](C)C1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000065408943 402124843 /nfs/dbraw/zinc/12/48/43/402124843.db2.gz GWRXQVPOQIQPOC-UHFFFAOYSA-N 2 2 322.416 2.346 50 0 DEAALP C[C@@H]([NH2+]Cc1ncc[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000066593998 402137493 /nfs/dbraw/zinc/13/74/93/402137493.db2.gz NJGJTUSERZZHDE-CYBMUJFWSA-N 2 2 317.412 2.151 50 0 DEAALP CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069531053 402229068 /nfs/dbraw/zinc/22/90/68/402229068.db2.gz NPKYLUGGPBDFBJ-MRXNPFEDSA-N 2 2 312.417 2.363 50 0 DEAALP CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069531053 402229070 /nfs/dbraw/zinc/22/90/70/402229070.db2.gz NPKYLUGGPBDFBJ-MRXNPFEDSA-N 2 2 312.417 2.363 50 0 DEAALP O=C(Cn1cc[nH+]c1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000216121524 402286691 /nfs/dbraw/zinc/28/66/91/402286691.db2.gz PXKOYAHZTDIYRC-KRWDZBQOSA-N 2 2 312.417 2.227 50 0 DEAALP Cc1ccsc1CN(C)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000243892549 402446440 /nfs/dbraw/zinc/44/64/40/402446440.db2.gz AIQGRMCEOHBMRI-PHIMTYICSA-N 2 2 303.435 2.270 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000252505863 402657341 /nfs/dbraw/zinc/65/73/41/402657341.db2.gz ODVKQSCLMABVCF-YHUYYLMFSA-N 2 2 307.482 2.096 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000252505863 402657342 /nfs/dbraw/zinc/65/73/42/402657342.db2.gz ODVKQSCLMABVCF-YHUYYLMFSA-N 2 2 307.482 2.096 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000252505863 402657344 /nfs/dbraw/zinc/65/73/44/402657344.db2.gz ODVKQSCLMABVCF-YHUYYLMFSA-N 2 2 307.482 2.096 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000252505863 402657345 /nfs/dbraw/zinc/65/73/45/402657345.db2.gz ODVKQSCLMABVCF-YHUYYLMFSA-N 2 2 307.482 2.096 50 0 DEAALP CCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000195543796 402850886 /nfs/dbraw/zinc/85/08/86/402850886.db2.gz QVCXPZIJHXGQSC-RHSMWYFYSA-N 2 2 319.449 2.028 50 0 DEAALP CO[C@]12CC[N@H+](CCc3[nH]cc[nH+]3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000299789386 403575636 /nfs/dbraw/zinc/57/56/36/403575636.db2.gz YYGKATAVKUMZCJ-XYJFISCASA-N 2 2 319.449 2.391 50 0 DEAALP CO[C@]12CC[N@@H+](CCc3[nH]cc[nH+]3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000299789386 403575638 /nfs/dbraw/zinc/57/56/38/403575638.db2.gz YYGKATAVKUMZCJ-XYJFISCASA-N 2 2 319.449 2.391 50 0 DEAALP CC[NH+](CC)CCNC(=O)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000426381471 405355973 /nfs/dbraw/zinc/35/59/73/405355973.db2.gz PDCRLEIPXOGTFM-UHFFFAOYSA-N 2 2 300.406 2.159 50 0 DEAALP Cc1ccc(-c2noc(CC[NH2+][C@@H](C)Cn3cc[nH+]c3)n2)cc1 ZINC000534658180 334314737 /nfs/dbraw/zinc/31/47/37/334314737.db2.gz YKWVAPFMASRGGF-AWEZNQCLSA-N 2 2 311.389 2.462 50 0 DEAALP Cc1cccc2c1CC[N@@H+](C[C@@H](O)C[NH+]1CCC(C)CC1)C2 ZINC000171648988 646709656 /nfs/dbraw/zinc/70/96/56/646709656.db2.gz UUBWHKXXNVYAPD-SFHVURJKSA-N 2 2 302.462 2.446 50 0 DEAALP Cc1cccc2c1CC[N@H+](C[C@@H](O)C[NH+]1CCC(C)CC1)C2 ZINC000171648988 646709657 /nfs/dbraw/zinc/70/96/57/646709657.db2.gz UUBWHKXXNVYAPD-SFHVURJKSA-N 2 2 302.462 2.446 50 0 DEAALP Cc1ccc2[nH]c(CCC(=O)N3CCCC[C@@H]([NH3+])C3)[nH+]c2c1C ZINC000082138626 192360502 /nfs/dbraw/zinc/36/05/02/192360502.db2.gz OLMLKWJADZPVIU-CQSZACIVSA-N 2 2 314.433 2.452 50 0 DEAALP c1cc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)ccn1 ZINC000083476688 539389696 /nfs/dbraw/zinc/38/96/96/539389696.db2.gz NNZOSSDPZMTWLM-UHFFFAOYSA-N 2 2 303.450 2.454 50 0 DEAALP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000221947213 539728401 /nfs/dbraw/zinc/72/84/01/539728401.db2.gz SMZPHJMOQPFCLU-CVEARBPZSA-N 2 2 315.417 2.337 50 0 DEAALP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000221947213 539728405 /nfs/dbraw/zinc/72/84/05/539728405.db2.gz SMZPHJMOQPFCLU-CVEARBPZSA-N 2 2 315.417 2.337 50 0 DEAALP Cc1ccc(-n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c(C)[nH+]1 ZINC000072440652 191167037 /nfs/dbraw/zinc/16/70/37/191167037.db2.gz YRXSPCHPZGDFBB-UHFFFAOYSA-N 2 2 308.389 2.241 50 0 DEAALP C[N@H+](CC1CCOCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969098 192207665 /nfs/dbraw/zinc/20/76/65/192207665.db2.gz LIMQKWMWJAMWQT-UHFFFAOYSA-N 2 2 317.477 2.447 50 0 DEAALP C[N@@H+](CC1CCOCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969098 192207668 /nfs/dbraw/zinc/20/76/68/192207668.db2.gz LIMQKWMWJAMWQT-UHFFFAOYSA-N 2 2 317.477 2.447 50 0 DEAALP CCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000097463625 193722352 /nfs/dbraw/zinc/72/23/52/193722352.db2.gz UQHXKRMRHUCQKN-INIZCTEOSA-N 2 2 318.465 2.339 50 0 DEAALP CCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000097463625 193722354 /nfs/dbraw/zinc/72/23/54/193722354.db2.gz UQHXKRMRHUCQKN-INIZCTEOSA-N 2 2 318.465 2.339 50 0 DEAALP Cc1ccn2cc(CNC(=O)C[N@@H+](C)Cc3ccccc3)[nH+]c2c1 ZINC000058308562 184103521 /nfs/dbraw/zinc/10/35/21/184103521.db2.gz GKXNHRXPDUZRLA-UHFFFAOYSA-N 2 2 322.412 2.391 50 0 DEAALP Cc1ccn2cc(CNC(=O)C[N@H+](C)Cc3ccccc3)[nH+]c2c1 ZINC000058308562 184103523 /nfs/dbraw/zinc/10/35/23/184103523.db2.gz GKXNHRXPDUZRLA-UHFFFAOYSA-N 2 2 322.412 2.391 50 0 DEAALP CC(=O)c1ccc(N2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000003683564 401724632 /nfs/dbraw/zinc/72/46/32/401724632.db2.gz SHRDDASXRUSSKF-UHFFFAOYSA-N 2 2 301.434 2.105 50 0 DEAALP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000030909694 401867092 /nfs/dbraw/zinc/86/70/92/401867092.db2.gz NRSCLEIIMBNDCL-LBPRGKRZSA-N 2 2 305.378 2.087 50 0 DEAALP CNC(=O)c1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000089702121 401958053 /nfs/dbraw/zinc/95/80/53/401958053.db2.gz GFNACPUGTHWKQB-MRXNPFEDSA-N 2 2 312.417 2.218 50 0 DEAALP c1ccc(C[NH+]2CCC([NH2+]CCOc3cccnc3)CC2)nc1 ZINC000095422449 402032639 /nfs/dbraw/zinc/03/26/39/402032639.db2.gz CTLSFDIQRLBEQG-UHFFFAOYSA-N 2 2 312.417 2.110 50 0 DEAALP CCCOCCN1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000055167098 402077031 /nfs/dbraw/zinc/07/70/31/402077031.db2.gz NDWQZIWAKSAHOH-RBUKOAKNSA-N 2 2 323.525 2.295 50 0 DEAALP CCCOCCN1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000055167098 402077033 /nfs/dbraw/zinc/07/70/33/402077033.db2.gz NDWQZIWAKSAHOH-RBUKOAKNSA-N 2 2 323.525 2.295 50 0 DEAALP CCOc1cccc(N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000096489067 402095701 /nfs/dbraw/zinc/09/57/01/402095701.db2.gz AVNURYMNGXNOAF-INIZCTEOSA-N 2 2 318.465 2.087 50 0 DEAALP CCOc1cccc(N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000096489067 402095702 /nfs/dbraw/zinc/09/57/02/402095702.db2.gz AVNURYMNGXNOAF-INIZCTEOSA-N 2 2 318.465 2.087 50 0 DEAALP C[C@@H]1CN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)[NH2+]1 ZINC000153625028 402157981 /nfs/dbraw/zinc/15/79/81/402157981.db2.gz VHQNSNVRCKGHJT-VZLFFANISA-N 2 2 310.401 2.094 50 0 DEAALP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H](O)C[NH+](C)C ZINC000069737774 402241439 /nfs/dbraw/zinc/24/14/39/402241439.db2.gz KXIAEGPXMPARAW-KRWDZBQOSA-N 2 2 316.449 2.008 50 0 DEAALP CN(C)c1[nH+]cccc1O[C@@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000225574840 402321785 /nfs/dbraw/zinc/32/17/85/402321785.db2.gz JETZKVFGFMIMLJ-GFCCVEGCSA-N 2 2 324.388 2.077 50 0 DEAALP C[N@H+](CCn1cc[nH+]c1)Cc1cnc(NCc2ccccc2)nc1 ZINC000215420914 402283306 /nfs/dbraw/zinc/28/33/06/402283306.db2.gz KQKMETOFTUOXPN-UHFFFAOYSA-N 2 2 322.416 2.417 50 0 DEAALP C[N@@H+](CCn1cc[nH+]c1)Cc1cnc(NCc2ccccc2)nc1 ZINC000215420914 402283307 /nfs/dbraw/zinc/28/33/07/402283307.db2.gz KQKMETOFTUOXPN-UHFFFAOYSA-N 2 2 322.416 2.417 50 0 DEAALP Cc1nc(NC2(C[NH+]3CCCCC3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244723941 402448696 /nfs/dbraw/zinc/44/86/96/402448696.db2.gz MKRDDTPRFMKECO-GASCZTMLSA-N 2 2 316.449 2.454 50 0 DEAALP CCOc1ccccc1CNc1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000252550378 402658555 /nfs/dbraw/zinc/65/85/55/402658555.db2.gz SMSRNRIHEBEION-BETUJISGSA-N 2 2 313.405 2.274 50 0 DEAALP CCOc1ccccc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182617565 402704509 /nfs/dbraw/zinc/70/45/09/402704509.db2.gz SMYZQNGSNKKJKR-UHFFFAOYSA-N 2 2 314.433 2.494 50 0 DEAALP Cc1[nH]c2cc(CNC(=O)[C@H](C)[NH+]3CCCCC3)ccc2[nH+]1 ZINC000426739018 405376609 /nfs/dbraw/zinc/37/66/09/405376609.db2.gz HVZYKABGHZJXMQ-LBPRGKRZSA-N 2 2 300.406 2.362 50 0 DEAALP Cc1[nH]c2ccc(CNC(=O)[C@H](C)[NH+]3CCCCC3)cc2[nH+]1 ZINC000426739018 405376612 /nfs/dbraw/zinc/37/66/12/405376612.db2.gz HVZYKABGHZJXMQ-LBPRGKRZSA-N 2 2 300.406 2.362 50 0 DEAALP C[N@H+](Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)Cc1ccccc1 ZINC000244595089 424886188 /nfs/dbraw/zinc/88/61/88/424886188.db2.gz DOLRMMIVHNZURF-GASCZTMLSA-N 2 2 311.433 2.450 50 0 DEAALP C[N@@H+](Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)Cc1ccccc1 ZINC000244595089 424886190 /nfs/dbraw/zinc/88/61/90/424886190.db2.gz DOLRMMIVHNZURF-GASCZTMLSA-N 2 2 311.433 2.450 50 0 DEAALP C[C@@H]1C[NH+](CCC[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000328588554 534463487 /nfs/dbraw/zinc/46/34/87/534463487.db2.gz IHHSQJRUTDVLGN-WTLGNFPFSA-N 2 2 322.493 2.375 50 0 DEAALP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000328588554 534463488 /nfs/dbraw/zinc/46/34/88/534463488.db2.gz IHHSQJRUTDVLGN-WTLGNFPFSA-N 2 2 322.493 2.375 50 0 DEAALP C[C@@H]1C[N@@H+](CCC[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000328588554 534463495 /nfs/dbraw/zinc/46/34/95/534463495.db2.gz IHHSQJRUTDVLGN-WTLGNFPFSA-N 2 2 322.493 2.375 50 0 DEAALP C[C@@H]1C[N@H+](CCC[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000328588554 534463502 /nfs/dbraw/zinc/46/35/02/534463502.db2.gz IHHSQJRUTDVLGN-WTLGNFPFSA-N 2 2 322.493 2.375 50 0 DEAALP COc1ccccc1/C=C/C[N@@H+]1CCO[C@H](CC[NH+](C)C)C1 ZINC000012704354 683844173 /nfs/dbraw/zinc/84/41/73/683844173.db2.gz CUIPWHHFEVOJET-DBWMJRBXSA-N 2 2 304.434 2.361 50 0 DEAALP COc1ccccc1/C=C/C[N@H+]1CCO[C@H](CC[NH+](C)C)C1 ZINC000012704354 683844175 /nfs/dbraw/zinc/84/41/75/683844175.db2.gz CUIPWHHFEVOJET-DBWMJRBXSA-N 2 2 304.434 2.361 50 0 DEAALP Cn1cc[nH+]c1CC[NH+]1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC001506427603 1061974634 /nfs/dbraw/zinc/97/46/34/1061974634.db2.gz RCXOFIRGXYFDAD-SFHVURJKSA-N 2 2 313.445 2.278 50 0 DEAALP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CC2)C1 ZINC000072253232 191086963 /nfs/dbraw/zinc/08/69/63/191086963.db2.gz WPCYYXWGSSMPHW-OAHLLOKOSA-N 2 2 304.438 2.264 50 0 DEAALP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CC2)C1 ZINC000072253232 191086965 /nfs/dbraw/zinc/08/69/65/191086965.db2.gz WPCYYXWGSSMPHW-OAHLLOKOSA-N 2 2 304.438 2.264 50 0 DEAALP C[C@H]1C[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)C[N@@H+]1C1CC1 ZINC000079073666 355294998 /nfs/dbraw/zinc/29/49/98/355294998.db2.gz IPTGHYXYGVCAFM-BLLLJJGKSA-N 2 2 320.408 2.450 50 0 DEAALP C[C@H]1C[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)C[N@H+]1C1CC1 ZINC000079073666 355295003 /nfs/dbraw/zinc/29/50/03/355295003.db2.gz IPTGHYXYGVCAFM-BLLLJJGKSA-N 2 2 320.408 2.450 50 0 DEAALP CCc1nc(CC[NH2+]C2CC[NH+](Cc3ccco3)CC2)no1 ZINC000584886680 357324976 /nfs/dbraw/zinc/32/49/76/357324976.db2.gz IRZGXLHBZKIVJJ-UHFFFAOYSA-N 2 2 304.394 2.022 50 0 DEAALP Cc1ccc(F)c(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1Cl ZINC000091635978 193083218 /nfs/dbraw/zinc/08/32/18/193083218.db2.gz MBTBDUPGISAANU-CHWSQXEVSA-N 2 2 314.832 2.389 50 0 DEAALP Cc1ccc(F)c(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1Cl ZINC000091635978 193083220 /nfs/dbraw/zinc/08/32/20/193083220.db2.gz MBTBDUPGISAANU-CHWSQXEVSA-N 2 2 314.832 2.389 50 0 DEAALP O=C(NCCCn1cc[nH+]c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013679898 401802615 /nfs/dbraw/zinc/80/26/15/401802615.db2.gz BGMBXILHTUJHFK-UHFFFAOYSA-N 2 2 312.417 2.299 50 0 DEAALP Cc1nnc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000084291498 401904615 /nfs/dbraw/zinc/90/46/15/401904615.db2.gz OCZIYLDMXKMFRL-KBPBESRZSA-N 2 2 322.453 2.089 50 0 DEAALP CCc1nc2n(n1)CCC[C@@H]2[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000095423690 402032647 /nfs/dbraw/zinc/03/26/47/402032647.db2.gz LNOKRIDPCLJFOS-HNNXBMFYSA-N 2 2 305.470 2.385 50 0 DEAALP CCc1nnc2n1C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000097199513 402116191 /nfs/dbraw/zinc/11/61/91/402116191.db2.gz ZFMUEJDXKKWTQS-HNNXBMFYSA-N 2 2 322.416 2.131 50 0 DEAALP Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)cc1 ZINC000097716914 402131199 /nfs/dbraw/zinc/13/11/99/402131199.db2.gz QJGNJFWYJSTPCP-WBMJQRKESA-N 2 2 300.381 2.400 50 0 DEAALP Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)cc1 ZINC000097716914 402131202 /nfs/dbraw/zinc/13/12/02/402131202.db2.gz QJGNJFWYJSTPCP-WBMJQRKESA-N 2 2 300.381 2.400 50 0 DEAALP C[C@@]12C[NH2+]C[C@@](c3ccccc3)(C[N@H+](Cc3ccccc3)C1)[C@H]2O ZINC000070666223 402262553 /nfs/dbraw/zinc/26/25/53/402262553.db2.gz JWSPFVDKCPXUQZ-HBMCJLEFSA-N 2 2 322.452 2.411 50 0 DEAALP C[C@@]12C[NH2+]C[C@@](c3ccccc3)(C[N@@H+](Cc3ccccc3)C1)[C@H]2O ZINC000070666223 402262555 /nfs/dbraw/zinc/26/25/55/402262555.db2.gz JWSPFVDKCPXUQZ-HBMCJLEFSA-N 2 2 322.452 2.411 50 0 DEAALP Nc1nc(NCCCOC2CCCC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244787528 402449803 /nfs/dbraw/zinc/44/98/03/402449803.db2.gz PYPKCWBBWHLARB-TXEJJXNPSA-N 2 2 305.426 2.025 50 0 DEAALP Cc1[nH]c2cc(CNC(=O)[C@@H](C)[NH+]3CCCCC3)ccc2[nH+]1 ZINC000426739017 405376660 /nfs/dbraw/zinc/37/66/60/405376660.db2.gz HVZYKABGHZJXMQ-GFCCVEGCSA-N 2 2 300.406 2.362 50 0 DEAALP Cc1[nH]c2ccc(CNC(=O)[C@@H](C)[NH+]3CCCCC3)cc2[nH+]1 ZINC000426739017 405376663 /nfs/dbraw/zinc/37/66/63/405376663.db2.gz HVZYKABGHZJXMQ-GFCCVEGCSA-N 2 2 300.406 2.362 50 0 DEAALP CO[C@H](C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCOC1 ZINC000585117761 405869562 /nfs/dbraw/zinc/86/95/62/405869562.db2.gz VYKMOWRMNBZHJQ-SPUZQDLCSA-N 2 2 306.450 2.319 50 0 DEAALP Cc1ccc(-c2noc(CC[NH2+][C@H](C)Cn3cc[nH+]c3)n2)cc1 ZINC000534658181 334314719 /nfs/dbraw/zinc/31/47/19/334314719.db2.gz YKWVAPFMASRGGF-CQSZACIVSA-N 2 2 311.389 2.462 50 0 DEAALP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000328588552 534461876 /nfs/dbraw/zinc/46/18/76/534461876.db2.gz IHHSQJRUTDVLGN-FDCRZUCXSA-N 2 2 322.493 2.375 50 0 DEAALP C[C@@H]1C[NH+](CCC[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000328588552 534461885 /nfs/dbraw/zinc/46/18/85/534461885.db2.gz IHHSQJRUTDVLGN-FDCRZUCXSA-N 2 2 322.493 2.375 50 0 DEAALP C[C@@H]1C[N@@H+](CCC[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000328588552 534461891 /nfs/dbraw/zinc/46/18/91/534461891.db2.gz IHHSQJRUTDVLGN-FDCRZUCXSA-N 2 2 322.493 2.375 50 0 DEAALP C[C@@H]1C[N@H+](CCC[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000328588552 534461902 /nfs/dbraw/zinc/46/19/02/534461902.db2.gz IHHSQJRUTDVLGN-FDCRZUCXSA-N 2 2 322.493 2.375 50 0 DEAALP CC[C@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000222980766 563729672 /nfs/dbraw/zinc/72/96/72/563729672.db2.gz WTPGOEAXQKNPGF-QGZVFWFLSA-N 2 2 314.433 2.218 50 0 DEAALP CC[C@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000222980766 563729673 /nfs/dbraw/zinc/72/96/73/563729673.db2.gz WTPGOEAXQKNPGF-QGZVFWFLSA-N 2 2 314.433 2.218 50 0 DEAALP COc1ccc2oc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2c1 ZINC000095448656 185368483 /nfs/dbraw/zinc/36/84/83/185368483.db2.gz LMXCSVHOAPXFTI-PBHICJAKSA-N 2 2 316.401 2.394 50 0 DEAALP COc1ccc2oc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2c1 ZINC000095448656 185368484 /nfs/dbraw/zinc/36/84/84/185368484.db2.gz LMXCSVHOAPXFTI-PBHICJAKSA-N 2 2 316.401 2.394 50 0 DEAALP CC(C)c1nn(C)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000097159051 185417029 /nfs/dbraw/zinc/41/70/29/185417029.db2.gz VEZQEJCDGZXNNJ-UHFFFAOYSA-N 2 2 310.405 2.414 50 0 DEAALP CC[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)Nc1cc(C)on1 ZINC000084718746 539398054 /nfs/dbraw/zinc/39/80/54/539398054.db2.gz ROVCGQJFOOAQSK-OLZOCXBDSA-N 2 2 317.393 2.064 50 0 DEAALP COCc1nc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cs1 ZINC000089702155 355541544 /nfs/dbraw/zinc/54/15/44/355541544.db2.gz VUYJEZCGOHLDEB-GFCCVEGCSA-N 2 2 306.435 2.462 50 0 DEAALP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCn3cc[nH+]c3)ccc2NC1=O ZINC000180008934 199106398 /nfs/dbraw/zinc/10/63/98/199106398.db2.gz SMWFFOCAXFAWKG-DOMZBBRYSA-N 2 2 314.389 2.343 50 0 DEAALP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000237427398 202261788 /nfs/dbraw/zinc/26/17/88/202261788.db2.gz GLAHAMKSUKIXJA-UKRRQHHQSA-N 2 2 304.434 2.461 50 0 DEAALP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000237427398 202261791 /nfs/dbraw/zinc/26/17/91/202261791.db2.gz GLAHAMKSUKIXJA-UKRRQHHQSA-N 2 2 304.434 2.461 50 0 DEAALP CC(C)C[NH+]1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091745598 193100200 /nfs/dbraw/zinc/10/02/00/193100200.db2.gz LBYMHJCJIHKGII-UHFFFAOYSA-N 2 2 318.465 2.313 50 0 DEAALP CC(C)C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091745598 193100202 /nfs/dbraw/zinc/10/02/02/193100202.db2.gz LBYMHJCJIHKGII-UHFFFAOYSA-N 2 2 318.465 2.313 50 0 DEAALP Cc1c[nH+]c(N)nc1NCC1([NH+]2CCOCC2)CCCCCC1 ZINC000092096762 193157062 /nfs/dbraw/zinc/15/70/62/193157062.db2.gz QRYHDGFUPCILHI-UHFFFAOYSA-N 2 2 319.453 2.204 50 0 DEAALP Cc1nnc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000065452601 184347038 /nfs/dbraw/zinc/34/70/38/184347038.db2.gz ULSHNNCFFJWBFM-CQSZACIVSA-N 2 2 313.449 2.471 50 0 DEAALP NC(=O)c1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000065457874 184348350 /nfs/dbraw/zinc/34/83/50/184348350.db2.gz QMDQIWOEDZTMMA-OAHLLOKOSA-N 2 2 310.401 2.115 50 0 DEAALP NC(=O)c1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000065457874 184348351 /nfs/dbraw/zinc/34/83/51/184348351.db2.gz QMDQIWOEDZTMMA-OAHLLOKOSA-N 2 2 310.401 2.115 50 0 DEAALP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595012 401953667 /nfs/dbraw/zinc/95/36/67/401953667.db2.gz VCASDZHAFUFHEY-KZNAEPCWSA-N 3 2 323.525 2.340 50 0 DEAALP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595012 401953671 /nfs/dbraw/zinc/95/36/71/401953671.db2.gz VCASDZHAFUFHEY-KZNAEPCWSA-N 3 2 323.525 2.340 50 0 DEAALP Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)nc[nH+]1 ZINC000096005713 402045664 /nfs/dbraw/zinc/04/56/64/402045664.db2.gz YUAIYQNDYFKFFY-KRWDZBQOSA-N 2 2 312.417 2.354 50 0 DEAALP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)nc[nH+]1 ZINC000096005713 402045667 /nfs/dbraw/zinc/04/56/67/402045667.db2.gz YUAIYQNDYFKFFY-KRWDZBQOSA-N 2 2 312.417 2.354 50 0 DEAALP Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nc[nH+]1 ZINC000096005712 402045852 /nfs/dbraw/zinc/04/58/52/402045852.db2.gz YUAIYQNDYFKFFY-QGZVFWFLSA-N 2 2 312.417 2.354 50 0 DEAALP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)nc[nH+]1 ZINC000096005712 402045855 /nfs/dbraw/zinc/04/58/55/402045855.db2.gz YUAIYQNDYFKFFY-QGZVFWFLSA-N 2 2 312.417 2.354 50 0 DEAALP Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000097159304 402112316 /nfs/dbraw/zinc/11/23/16/402112316.db2.gz QAFLUQSENJBDQM-UHFFFAOYSA-N 2 2 314.433 2.149 50 0 DEAALP Cc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000097163396 402113570 /nfs/dbraw/zinc/11/35/70/402113570.db2.gz CUDZAYQHQDFWFT-SJPCQFCGSA-N 2 2 300.450 2.137 50 0 DEAALP Cc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000097163396 402113573 /nfs/dbraw/zinc/11/35/73/402113573.db2.gz CUDZAYQHQDFWFT-SJPCQFCGSA-N 2 2 300.450 2.137 50 0 DEAALP NC(=O)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000097200610 402115823 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c1nn2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cnc2c1-c1ccccc1 ZINC000067758381 402171533 /nfs/dbraw/zinc/17/15/33/402171533.db2.gz YWIXADGGMIPTCY-CALCHBBNSA-N 2 2 319.412 2.048 50 0 DEAALP c1nn2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cnc2c1-c1ccccc1 ZINC000067758381 402171534 /nfs/dbraw/zinc/17/15/34/402171534.db2.gz YWIXADGGMIPTCY-CALCHBBNSA-N 2 2 319.412 2.048 50 0 DEAALP CN(C)c1ccc(C[NH+]2CCC([NH+]3CCSCC3)CC2)cn1 ZINC000215129960 402280747 /nfs/dbraw/zinc/28/07/47/402280747.db2.gz YVVYKOOVIQNKCV-UHFFFAOYSA-N 2 2 320.506 2.161 50 0 DEAALP NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222198526 402306491 /nfs/dbraw/zinc/30/64/91/402306491.db2.gz KTWRCNKIJSTWAS-WMLDXEAASA-N 2 2 310.401 2.042 50 0 DEAALP NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222198526 402306493 /nfs/dbraw/zinc/30/64/93/402306493.db2.gz KTWRCNKIJSTWAS-WMLDXEAASA-N 2 2 310.401 2.042 50 0 DEAALP O=C(CCC[NH+]1CCCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000222824508 402308892 /nfs/dbraw/zinc/30/88/92/402308892.db2.gz ZFMHSTXHCULPML-UHFFFAOYSA-N 2 2 312.417 2.365 50 0 DEAALP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3ccc(F)cc3)[C@H]2C1 ZINC000253417138 402664732 /nfs/dbraw/zinc/66/47/32/402664732.db2.gz VIYCJVJKNSCSMJ-CJNGLKHVSA-N 2 2 305.397 2.180 50 0 DEAALP C[N@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3ccc(F)cc3)[C@H]2C1 ZINC000253417138 402664734 /nfs/dbraw/zinc/66/47/34/402664734.db2.gz VIYCJVJKNSCSMJ-CJNGLKHVSA-N 2 2 305.397 2.180 50 0 DEAALP C[NH+]1CC[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(F)cc3)[C@H]2C1 ZINC000253417138 402664736 /nfs/dbraw/zinc/66/47/36/402664736.db2.gz VIYCJVJKNSCSMJ-CJNGLKHVSA-N 2 2 305.397 2.180 50 0 DEAALP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(F)cc3)[C@H]2C1 ZINC000253417138 402664739 /nfs/dbraw/zinc/66/47/39/402664739.db2.gz VIYCJVJKNSCSMJ-CJNGLKHVSA-N 2 2 305.397 2.180 50 0 DEAALP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523632 403824596 /nfs/dbraw/zinc/82/45/96/403824596.db2.gz LXPCWYRUDZWTGZ-HKUYNNGSSA-N 2 2 313.445 2.210 50 0 DEAALP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523632 403824603 /nfs/dbraw/zinc/82/46/03/403824603.db2.gz LXPCWYRUDZWTGZ-HKUYNNGSSA-N 2 2 313.445 2.210 50 0 DEAALP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523632 403824607 /nfs/dbraw/zinc/82/46/07/403824607.db2.gz LXPCWYRUDZWTGZ-HKUYNNGSSA-N 2 2 313.445 2.210 50 0 DEAALP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523632 403824613 /nfs/dbraw/zinc/82/46/13/403824613.db2.gz LXPCWYRUDZWTGZ-HKUYNNGSSA-N 2 2 313.445 2.210 50 0 DEAALP Cn1c[nH+]cc1C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000132335789 196247294 /nfs/dbraw/zinc/24/72/94/196247294.db2.gz GXESZRCNHNAXAL-CQSZACIVSA-N 2 2 322.771 2.108 50 0 DEAALP Cn1ccc2cc(C[N@@H+]3CCOC[C@@H](C[NH+](C)C)C3)ccc21 ZINC000823689942 1090695573 /nfs/dbraw/zinc/69/55/73/1090695573.db2.gz HJLMQBWTNCTZFJ-INIZCTEOSA-N 2 2 301.434 2.188 50 0 DEAALP Cn1ccc2cc(C[N@H+]3CCOC[C@@H](C[NH+](C)C)C3)ccc21 ZINC000823689942 1090695578 /nfs/dbraw/zinc/69/55/78/1090695578.db2.gz HJLMQBWTNCTZFJ-INIZCTEOSA-N 2 2 301.434 2.188 50 0 DEAALP O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000078986380 185140760 /nfs/dbraw/zinc/14/07/60/185140760.db2.gz PJHXSCMXRSEDFS-OAHLLOKOSA-N 2 2 316.380 2.220 50 0 DEAALP O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000078986380 185140762 /nfs/dbraw/zinc/14/07/62/185140762.db2.gz PJHXSCMXRSEDFS-OAHLLOKOSA-N 2 2 316.380 2.220 50 0 DEAALP CCCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(N)[nH+]c(N)n2)C1 ZINC000095391186 185351499 /nfs/dbraw/zinc/35/14/99/185351499.db2.gz YGZZZEWGWIEUQF-GFCCVEGCSA-N 2 2 315.425 2.022 50 0 DEAALP CCCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(N)nc(N)[nH+]2)C1 ZINC000095391186 185351500 /nfs/dbraw/zinc/35/15/00/185351500.db2.gz YGZZZEWGWIEUQF-GFCCVEGCSA-N 2 2 315.425 2.022 50 0 DEAALP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Cl)cc2F)CC1 ZINC000189014705 200336033 /nfs/dbraw/zinc/33/60/33/200336033.db2.gz LWSNYTDYVDHREK-UHFFFAOYSA-N 2 2 300.805 2.368 50 0 DEAALP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Cl)cc2F)CC1 ZINC000189014705 200336034 /nfs/dbraw/zinc/33/60/34/200336034.db2.gz LWSNYTDYVDHREK-UHFFFAOYSA-N 2 2 300.805 2.368 50 0 DEAALP CC(C)Oc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C3CC3)C2)cc1CO ZINC000092022374 193143450 /nfs/dbraw/zinc/14/34/50/193143450.db2.gz OHAAOTSGILVPQF-SJORKVTESA-N 2 2 304.434 2.135 50 0 DEAALP CC(C)Oc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C3CC3)C2)cc1CO ZINC000092022374 193143452 /nfs/dbraw/zinc/14/34/52/193143452.db2.gz OHAAOTSGILVPQF-SJORKVTESA-N 2 2 304.434 2.135 50 0 DEAALP COCCn1cc[nH+]c1C1CC[NH+](Cc2coc(C)n2)CC1 ZINC000092097860 193157115 /nfs/dbraw/zinc/15/71/15/193157115.db2.gz OBYAKVXLQBBDMV-UHFFFAOYSA-N 2 2 304.394 2.206 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000072294880 401707055 /nfs/dbraw/zinc/70/70/55/401707055.db2.gz ODVKQSCLMABVCF-CAOSSQGBSA-N 2 2 307.482 2.096 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000072294880 401707059 /nfs/dbraw/zinc/70/70/59/401707059.db2.gz ODVKQSCLMABVCF-CAOSSQGBSA-N 2 2 307.482 2.096 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000072294880 401707062 /nfs/dbraw/zinc/70/70/62/401707062.db2.gz ODVKQSCLMABVCF-CAOSSQGBSA-N 2 2 307.482 2.096 50 0 DEAALP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000072294880 401707066 /nfs/dbraw/zinc/70/70/66/401707066.db2.gz ODVKQSCLMABVCF-CAOSSQGBSA-N 2 2 307.482 2.096 50 0 DEAALP Cc1[nH+]cc(C[NH2+][C@H]2CC(=O)N(C3CCCCCC3)C2)n1C ZINC000012316888 401783376 /nfs/dbraw/zinc/78/33/76/401783376.db2.gz OQDCQHMNRBWHQU-AWEZNQCLSA-N 2 2 304.438 2.142 50 0 DEAALP CN(C)c1ncc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC000077420811 401814791 /nfs/dbraw/zinc/81/47/91/401814791.db2.gz ARFFIAMQQSXBJF-KRWDZBQOSA-N 2 2 317.481 2.383 50 0 DEAALP CN(C)c1ncc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC000077420811 401814793 /nfs/dbraw/zinc/81/47/93/401814793.db2.gz ARFFIAMQQSXBJF-KRWDZBQOSA-N 2 2 317.481 2.383 50 0 DEAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(OC)c1OC ZINC000035268953 401897840 /nfs/dbraw/zinc/89/78/40/401897840.db2.gz NANQNQNOCHEAEA-UHFFFAOYSA-N 2 2 305.378 2.089 50 0 DEAALP CCc1c[nH+]c(N)nc1N1CCC(Cn2cc[nH+]c2C)CC1 ZINC000095362342 402027523 /nfs/dbraw/zinc/02/75/23/402027523.db2.gz SSGZZWVQMHPWML-UHFFFAOYSA-N 2 2 300.410 2.043 50 0 DEAALP Cc1cccnc1[C@H](C)[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063848667 402116511 /nfs/dbraw/zinc/11/65/11/402116511.db2.gz LHQCOTSLEKIIGJ-LZLYRXPVSA-N 2 2 303.450 2.420 50 0 DEAALP Cc1cccnc1[C@H](C)[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063848667 402116514 /nfs/dbraw/zinc/11/65/14/402116514.db2.gz LHQCOTSLEKIIGJ-LZLYRXPVSA-N 2 2 303.450 2.420 50 0 DEAALP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000097578646 402127603 /nfs/dbraw/zinc/12/76/03/402127603.db2.gz RLBRFCZGZUFXEN-AWEZNQCLSA-N 2 2 311.832 2.301 50 0 DEAALP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000097578646 402127604 /nfs/dbraw/zinc/12/76/04/402127604.db2.gz RLBRFCZGZUFXEN-AWEZNQCLSA-N 2 2 311.832 2.301 50 0 DEAALP C[N@H+](CC(=O)N1CCC[C@@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000097604099 402128703 /nfs/dbraw/zinc/12/87/03/402128703.db2.gz QDFIRIDGJSQWOX-QGZVFWFLSA-N 2 2 301.434 2.034 50 0 DEAALP C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000097604099 402128705 /nfs/dbraw/zinc/12/87/05/402128705.db2.gz QDFIRIDGJSQWOX-QGZVFWFLSA-N 2 2 301.434 2.034 50 0 DEAALP CCOc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000097636517 402129530 /nfs/dbraw/zinc/12/95/30/402129530.db2.gz RTQVMQUNOYPDGX-HNNXBMFYSA-N 2 2 323.868 2.218 50 0 DEAALP O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(Cn2cc[nH+]c2)o1 ZINC000067695384 402167938 /nfs/dbraw/zinc/16/79/38/402167938.db2.gz CGGWHFXNOHXTOC-UHFFFAOYSA-N 2 2 311.345 2.310 50 0 DEAALP Nc1nc(NCCCc2ccc(F)cc2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220268706 402300700 /nfs/dbraw/zinc/30/07/00/402300700.db2.gz LVXPOGHIEBAIEE-UHFFFAOYSA-N 2 2 315.396 2.447 50 0 DEAALP C[C@H](O)c1cc2n(n1)CCC[N@H+](CC(C)(C)C[NH+]1CCCC1)C2 ZINC000221408154 402304189 /nfs/dbraw/zinc/30/41/89/402304189.db2.gz PQLSCXYUJRTWIN-HNNXBMFYSA-N 2 2 320.481 2.264 50 0 DEAALP C[C@H](O)c1cc2n(n1)CCC[N@@H+](CC(C)(C)C[NH+]1CCCC1)C2 ZINC000221408154 402304191 /nfs/dbraw/zinc/30/41/91/402304191.db2.gz PQLSCXYUJRTWIN-HNNXBMFYSA-N 2 2 320.481 2.264 50 0 DEAALP Cn1cc[nH+]c1CCNC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000244774008 402449435 /nfs/dbraw/zinc/44/94/35/402449435.db2.gz PMJYMWGZMMBCQO-UHFFFAOYSA-N 2 2 306.454 2.026 50 0 DEAALP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(-n2cnnn2)cc1 ZINC000367436649 405048797 /nfs/dbraw/zinc/04/87/97/405048797.db2.gz GVXSEZNWNVDNAG-CYBMUJFWSA-N 2 2 323.404 2.046 50 0 DEAALP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccncc3)CC2)CC1 ZINC000420987079 405421031 /nfs/dbraw/zinc/42/10/31/405421031.db2.gz ZUZKAGKOEZHAKV-UHFFFAOYSA-N 2 2 302.466 2.074 50 0 DEAALP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccncc3)CC2)CC1 ZINC000420987079 405421034 /nfs/dbraw/zinc/42/10/34/405421034.db2.gz ZUZKAGKOEZHAKV-UHFFFAOYSA-N 2 2 302.466 2.074 50 0 DEAALP CC[N@@H+]1CCC[C@](O)(C[NH+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000041124087 276188014 /nfs/dbraw/zinc/18/80/14/276188014.db2.gz ZLKMAIPQEUTPRD-LJQANCHMSA-N 2 2 313.445 2.373 50 0 DEAALP CC[N@H+]1CCC[C@](O)(C[NH+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000041124087 276188015 /nfs/dbraw/zinc/18/80/15/276188015.db2.gz ZLKMAIPQEUTPRD-LJQANCHMSA-N 2 2 313.445 2.373 50 0 DEAALP CC[NH+]1CCC[C@](O)(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000041124087 276188016 /nfs/dbraw/zinc/18/80/16/276188016.db2.gz ZLKMAIPQEUTPRD-LJQANCHMSA-N 2 2 313.445 2.373 50 0 DEAALP CC[NH+]1CCC[C@](O)(C[N@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000041124087 276188017 /nfs/dbraw/zinc/18/80/17/276188017.db2.gz ZLKMAIPQEUTPRD-LJQANCHMSA-N 2 2 313.445 2.373 50 0 DEAALP C[C@H]1CCCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000069655793 278335375 /nfs/dbraw/zinc/33/53/75/278335375.db2.gz ZFQGGUGRMMMYTQ-RDJZCZTQSA-N 2 2 324.513 2.233 50 0 DEAALP C[C@H]1CCCC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000069655793 278335377 /nfs/dbraw/zinc/33/53/77/278335377.db2.gz ZFQGGUGRMMMYTQ-RDJZCZTQSA-N 2 2 324.513 2.233 50 0 DEAALP NC(=O)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000097113857 295106971 /nfs/dbraw/zinc/10/69/71/295106971.db2.gz SVDNISYCDASOAL-CHWSQXEVSA-N 2 2 321.387 2.037 50 0 DEAALP O=C(c1cccc(-n2cc[nH+]c2)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186539652 636223833 /nfs/dbraw/zinc/22/38/33/636223833.db2.gz FWZFVLMWQIWKHG-HNNXBMFYSA-N 2 2 310.401 2.229 50 0 DEAALP Cn1cc[nH+]c1CC[NH+]1CCC([C@@H](O)c2cccs2)CC1 ZINC001529159073 1070888214 /nfs/dbraw/zinc/88/82/14/1070888214.db2.gz NGSCXXRKDSSFOH-MRXNPFEDSA-N 2 2 305.447 2.470 50 0 DEAALP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000089977200 185273175 /nfs/dbraw/zinc/27/31/75/185273175.db2.gz DYQDOENPORHUIU-NSHDSACASA-N 2 2 311.376 2.366 50 0 DEAALP Cc1cc(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)nc(N)[nH+]1 ZINC000082109470 192357363 /nfs/dbraw/zinc/35/73/63/192357363.db2.gz DLTKUCCBHOMVAV-AWEZNQCLSA-N 2 2 312.421 2.358 50 0 DEAALP CCn1ccnc1C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000083476675 539389368 /nfs/dbraw/zinc/38/93/68/539389368.db2.gz MAEXRUJFPULNSK-UHFFFAOYSA-N 2 2 320.481 2.275 50 0 DEAALP Cc1[nH+]cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)n1C ZINC000072174530 191071538 /nfs/dbraw/zinc/07/15/38/191071538.db2.gz OKAISHTZVWMXLQ-UHFFFAOYSA-N 2 2 302.397 2.185 50 0 DEAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000072418151 191156307 /nfs/dbraw/zinc/15/63/07/191156307.db2.gz QVASODVUGIMGEG-HNNXBMFYSA-N 2 2 305.470 2.246 50 0 DEAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000072418151 191156310 /nfs/dbraw/zinc/15/63/10/191156310.db2.gz QVASODVUGIMGEG-HNNXBMFYSA-N 2 2 305.470 2.246 50 0 DEAALP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000068525149 354817246 /nfs/dbraw/zinc/81/72/46/354817246.db2.gz UQOOPSZWOFRWTN-OAHLLOKOSA-N 2 2 304.438 2.187 50 0 DEAALP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000068525149 354817249 /nfs/dbraw/zinc/81/72/49/354817249.db2.gz UQOOPSZWOFRWTN-OAHLLOKOSA-N 2 2 304.438 2.187 50 0 DEAALP Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000248773424 356325292 /nfs/dbraw/zinc/32/52/92/356325292.db2.gz TYQXQHYUTYIBQH-KGLIPLIRSA-N 2 2 315.421 2.240 50 0 DEAALP Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000248773424 356325297 /nfs/dbraw/zinc/32/52/97/356325297.db2.gz TYQXQHYUTYIBQH-KGLIPLIRSA-N 2 2 315.421 2.240 50 0 DEAALP CCNc1ncc(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)cn1 ZINC000670460363 540936915 /nfs/dbraw/zinc/93/69/15/540936915.db2.gz ZGZWTKDPDLPLTG-UHFFFAOYSA-N 2 2 300.410 2.017 50 0 DEAALP CC(C)c1cc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)on1 ZINC000091951728 193131641 /nfs/dbraw/zinc/13/16/41/193131641.db2.gz NXWWGWIPUDLWSQ-HZPDHXFCSA-N 2 2 321.465 2.324 50 0 DEAALP CC(C)c1cc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)on1 ZINC000091951728 193131644 /nfs/dbraw/zinc/13/16/44/193131644.db2.gz NXWWGWIPUDLWSQ-HZPDHXFCSA-N 2 2 321.465 2.324 50 0 DEAALP c1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)[nH+]c1 ZINC000019777996 182147842 /nfs/dbraw/zinc/14/78/42/182147842.db2.gz BCBQRYKNJARPBG-UHFFFAOYSA-N 2 2 313.401 2.405 50 0 DEAALP CC(C)[C@H](Cn1cc[nH+]c1)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000065373072 184330527 /nfs/dbraw/zinc/33/05/27/184330527.db2.gz LJUZWKLPJRMPFL-INIZCTEOSA-N 2 2 306.454 2.144 50 0 DEAALP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000237485588 257238262 /nfs/dbraw/zinc/23/82/62/257238262.db2.gz UVCWSZCUYVEOJJ-LFECJLGQSA-N 2 2 310.401 2.224 50 0 DEAALP CC(C)[NH+]1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000077488817 401817132 /nfs/dbraw/zinc/81/71/32/401817132.db2.gz LUOQTWKLNZKNTM-UHFFFAOYSA-N 2 2 305.470 2.389 50 0 DEAALP OCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)o1 ZINC000015065015 401815882 /nfs/dbraw/zinc/81/58/82/401815882.db2.gz JNNPROZCMAYJFP-SFHVURJKSA-N 2 2 304.434 2.470 50 0 DEAALP OCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)o1 ZINC000015065015 401815886 /nfs/dbraw/zinc/81/58/86/401815886.db2.gz JNNPROZCMAYJFP-SFHVURJKSA-N 2 2 304.434 2.470 50 0 DEAALP OCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)o1 ZINC000015065015 401815889 /nfs/dbraw/zinc/81/58/89/401815889.db2.gz JNNPROZCMAYJFP-SFHVURJKSA-N 2 2 304.434 2.470 50 0 DEAALP OCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)o1 ZINC000015065015 401815891 /nfs/dbraw/zinc/81/58/91/401815891.db2.gz JNNPROZCMAYJFP-SFHVURJKSA-N 2 2 304.434 2.470 50 0 DEAALP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595006 401953799 /nfs/dbraw/zinc/95/37/99/401953799.db2.gz VCASDZHAFUFHEY-KURKYZTESA-N 3 2 323.525 2.340 50 0 DEAALP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595006 401953801 /nfs/dbraw/zinc/95/38/01/401953801.db2.gz VCASDZHAFUFHEY-KURKYZTESA-N 3 2 323.525 2.340 50 0 DEAALP CCC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)[C@H](C)C1 ZINC000089941563 401975999 /nfs/dbraw/zinc/97/59/99/401975999.db2.gz RCOCUPYDPDYETD-ZBFHGGJFSA-N 2 2 314.433 2.379 50 0 DEAALP COC1CC[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051155388 402032074 /nfs/dbraw/zinc/03/20/74/402032074.db2.gz INOXPDQRAGJGRU-OAHLLOKOSA-N 2 2 317.433 2.125 50 0 DEAALP Brc1cnn(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000095957576 402036958 /nfs/dbraw/zinc/03/69/58/402036958.db2.gz YHYFIMVTKPKYGC-UHFFFAOYSA-N 2 2 324.226 2.179 50 0 DEAALP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000095972693 402038891 /nfs/dbraw/zinc/03/88/91/402038891.db2.gz SMZPHJMOQPFCLU-JKSUJKDBSA-N 2 2 315.417 2.337 50 0 DEAALP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000095972693 402038894 /nfs/dbraw/zinc/03/88/94/402038894.db2.gz SMZPHJMOQPFCLU-JKSUJKDBSA-N 2 2 315.417 2.337 50 0 DEAALP NC(=O)C[NH+]1CCC(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000096406234 402078794 /nfs/dbraw/zinc/07/87/94/402078794.db2.gz PCWWKFWIYIPJRB-UHFFFAOYSA-N 2 2 318.808 2.250 50 0 DEAALP NC(=O)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000097200609 402115899 /nfs/dbraw/zinc/11/58/99/402115899.db2.gz ZLPQUHXTSZJMTH-HNNXBMFYSA-N 2 2 310.401 2.115 50 0 DEAALP NC(=O)c1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000097200609 402115901 /nfs/dbraw/zinc/11/59/01/402115901.db2.gz ZLPQUHXTSZJMTH-HNNXBMFYSA-N 2 2 310.401 2.115 50 0 DEAALP C[C@H]1C[N@H+](CCc2cccs2)CCN1Cc1[nH+]ccn1C ZINC000069489251 402226625 /nfs/dbraw/zinc/22/66/25/402226625.db2.gz XDNONAJESNTRAW-AWEZNQCLSA-N 2 2 304.463 2.230 50 0 DEAALP C[C@H]1C[N@@H+](CCc2cccs2)CCN1Cc1[nH+]ccn1C ZINC000069489251 402226627 /nfs/dbraw/zinc/22/66/27/402226627.db2.gz XDNONAJESNTRAW-AWEZNQCLSA-N 2 2 304.463 2.230 50 0 DEAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000215602336 402284180 /nfs/dbraw/zinc/28/41/80/402284180.db2.gz AEDLITPXHFPJFD-HNNXBMFYSA-N 2 2 322.416 2.380 50 0 DEAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000215602336 402284181 /nfs/dbraw/zinc/28/41/81/402284181.db2.gz AEDLITPXHFPJFD-HNNXBMFYSA-N 2 2 322.416 2.380 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)[nH+]1 ZINC000215930743 402285772 /nfs/dbraw/zinc/28/57/72/402285772.db2.gz GFTPLPMIRKHZJR-CQSZACIVSA-N 2 2 316.405 2.182 50 0 DEAALP Cc1cc(C)n2ncc(C[N@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)c2n1 ZINC000216550009 402289439 /nfs/dbraw/zinc/28/94/39/402289439.db2.gz GKJHWLNVZCBNAP-OAHLLOKOSA-N 2 2 324.432 2.459 50 0 DEAALP CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)C[NH2+]CCO4)C2)C1 ZINC000299786284 403574433 /nfs/dbraw/zinc/57/44/33/403574433.db2.gz SHQOFDCTHVMWON-IBGZPJMESA-N 3 2 315.461 2.086 50 0 DEAALP CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)C[NH2+]CCO4)C2)C1 ZINC000299786284 403574435 /nfs/dbraw/zinc/57/44/35/403574435.db2.gz SHQOFDCTHVMWON-IBGZPJMESA-N 3 2 315.461 2.086 50 0 DEAALP CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)C[NH2+]CCO4)C2)C1 ZINC000299786284 403574436 /nfs/dbraw/zinc/57/44/36/403574436.db2.gz SHQOFDCTHVMWON-IBGZPJMESA-N 3 2 315.461 2.086 50 0 DEAALP CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CCO4)C2)C1 ZINC000299786284 403574438 /nfs/dbraw/zinc/57/44/38/403574438.db2.gz SHQOFDCTHVMWON-IBGZPJMESA-N 3 2 315.461 2.086 50 0 DEAALP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523635 277159233 /nfs/dbraw/zinc/15/92/33/277159233.db2.gz LXPCWYRUDZWTGZ-PKOBYXMFSA-N 2 2 313.445 2.210 50 0 DEAALP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523635 277159234 /nfs/dbraw/zinc/15/92/34/277159234.db2.gz LXPCWYRUDZWTGZ-PKOBYXMFSA-N 2 2 313.445 2.210 50 0 DEAALP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523635 277159235 /nfs/dbraw/zinc/15/92/35/277159235.db2.gz LXPCWYRUDZWTGZ-PKOBYXMFSA-N 2 2 313.445 2.210 50 0 DEAALP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523635 277159237 /nfs/dbraw/zinc/15/92/37/277159237.db2.gz LXPCWYRUDZWTGZ-PKOBYXMFSA-N 2 2 313.445 2.210 50 0 DEAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccs2)nc[nH+]1 ZINC000072254083 191088195 /nfs/dbraw/zinc/08/81/95/191088195.db2.gz LAEBYSWIALJBKZ-LBPRGKRZSA-N 2 2 303.435 2.338 50 0 DEAALP Cc1cccc(NCC[NH+]2CCN(C(=O)C3CCCC3)CC2)[nH+]1 ZINC000097096467 355700854 /nfs/dbraw/zinc/70/08/54/355700854.db2.gz XRBRPHYHTAWDSC-UHFFFAOYSA-N 2 2 316.449 2.136 50 0 DEAALP OC[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1C[NH+]1CCCC1 ZINC000091474871 193061215 /nfs/dbraw/zinc/06/12/15/193061215.db2.gz AQYLFRWOPRROEL-HUUCEWRRSA-N 2 2 310.388 2.101 50 0 DEAALP OC[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1C[NH+]1CCCC1 ZINC000091474871 193061217 /nfs/dbraw/zinc/06/12/17/193061217.db2.gz AQYLFRWOPRROEL-HUUCEWRRSA-N 2 2 310.388 2.101 50 0 DEAALP c1cn(CC[NH+]2CCN(c3cncc4ccccc43)CC2)c[nH+]1 ZINC000282723196 217203070 /nfs/dbraw/zinc/20/30/70/217203070.db2.gz CBZXFKCURIWJBE-UHFFFAOYSA-N 2 2 307.401 2.254 50 0 DEAALP CCCCc1[nH]c(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)c[nH+]1 ZINC000039421470 183017913 /nfs/dbraw/zinc/01/79/13/183017913.db2.gz YYHOEQATSCHPMU-MRXNPFEDSA-N 2 2 308.470 2.029 50 0 DEAALP CCCCc1[nH]c(CN2CC[N@@H+](C(C)C)[C@H](CCO)C2)c[nH+]1 ZINC000039421470 183017915 /nfs/dbraw/zinc/01/79/15/183017915.db2.gz YYHOEQATSCHPMU-MRXNPFEDSA-N 2 2 308.470 2.029 50 0 DEAALP CCCCc1[nH]cc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)[nH+]1 ZINC000039421470 183017921 /nfs/dbraw/zinc/01/79/21/183017921.db2.gz YYHOEQATSCHPMU-MRXNPFEDSA-N 2 2 308.470 2.029 50 0 DEAALP CCCCc1[nH]cc(CN2CC[N@@H+](C(C)C)[C@H](CCO)C2)[nH+]1 ZINC000039421470 183017924 /nfs/dbraw/zinc/01/79/24/183017924.db2.gz YYHOEQATSCHPMU-MRXNPFEDSA-N 2 2 308.470 2.029 50 0 DEAALP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000072255115 401704230 /nfs/dbraw/zinc/70/42/30/401704230.db2.gz PYOZJMPLVYQFRS-SJLPKXTDSA-N 2 2 324.428 2.151 50 0 DEAALP C[C@H](CC(=O)N(C)C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008706504 401755057 /nfs/dbraw/zinc/75/50/57/401755057.db2.gz YQFXQFNEYLNEMA-ZIAGYGMSSA-N 2 2 300.406 2.390 50 0 DEAALP COc1cc2c(cc1C[NH2+][C@H](C)Cn1cc[nH+]c1)O[C@H](C)C2 ZINC000030909792 401867227 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783610761 /nfs/dbraw/zinc/61/07/61/783610761.db2.gz OUCYQIVDAGQBLX-OAHLLOKOSA-N 2 2 301.394 2.127 50 0 DEAALP Cc1nc(C(F)(F)F)ncc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000823716282 1090696026 /nfs/dbraw/zinc/69/60/26/1090696026.db2.gz UJROVFOWPSEJBL-NSHDSACASA-N 2 2 302.344 2.187 50 0 DEAALP Cc1nc(C(F)(F)F)ncc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000823716282 1090696028 /nfs/dbraw/zinc/69/60/28/1090696028.db2.gz UJROVFOWPSEJBL-NSHDSACASA-N 2 2 302.344 2.187 50 0 DEAALP Cc1nc(C(F)(F)F)ncc1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000823716282 1090696031 /nfs/dbraw/zinc/69/60/31/1090696031.db2.gz UJROVFOWPSEJBL-NSHDSACASA-N 2 2 302.344 2.187 50 0 DEAALP Cc1nc(C(F)(F)F)ncc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000823716282 1090696034 /nfs/dbraw/zinc/69/60/34/1090696034.db2.gz UJROVFOWPSEJBL-NSHDSACASA-N 2 2 302.344 2.187 50 0 DEAALP CCc1nn(C)c(CC)c1C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000095439957 185365989 /nfs/dbraw/zinc/36/59/89/185365989.db2.gz SUTVWHRHLRVTIL-UHFFFAOYSA-N 2 2 315.465 2.410 50 0 DEAALP C[NH+]1CCN(c2nc3c(s2)C[N@H+](Cc2ccco2)CC3)CC1 ZINC000169749258 355980249 /nfs/dbraw/zinc/98/02/49/355980249.db2.gz DQUXWWILZRBPOJ-UHFFFAOYSA-N 2 2 318.446 2.046 50 0 DEAALP C[NH+]1CCN(c2nc3c(s2)C[N@@H+](Cc2ccco2)CC3)CC1 ZINC000169749258 355980255 /nfs/dbraw/zinc/98/02/55/355980255.db2.gz DQUXWWILZRBPOJ-UHFFFAOYSA-N 2 2 318.446 2.046 50 0 DEAALP Cc1cc(N(C)CCn2cc[nH+]c2)nc(N2CCCCC2)[nH+]1 ZINC000670452456 540935750 /nfs/dbraw/zinc/93/57/50/540935750.db2.gz VBAFCMFSHDRWJR-UHFFFAOYSA-N 2 2 300.410 2.108 50 0 DEAALP Cc1nc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)n(C)c1C ZINC000670457174 540936373 /nfs/dbraw/zinc/93/63/73/540936373.db2.gz WDLMNIVXUFQOPL-MRXNPFEDSA-N 2 2 301.438 2.454 50 0 DEAALP Cc1nc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)n(C)c1C ZINC000670457174 540936375 /nfs/dbraw/zinc/93/63/75/540936375.db2.gz WDLMNIVXUFQOPL-MRXNPFEDSA-N 2 2 301.438 2.454 50 0 DEAALP C[C@@H](Nc1cccc[nH+]1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059299560 184136328 /nfs/dbraw/zinc/13/63/28/184136328.db2.gz IUXIFAFKABZUNG-MRXNPFEDSA-N 2 2 324.428 2.226 50 0 DEAALP Cc1[nH+]ccn1C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000065468757 184350879 /nfs/dbraw/zinc/35/08/79/184350879.db2.gz KAKTWVMWOMGOSF-OAHLLOKOSA-N 3 2 313.449 2.229 50 0 DEAALP CCCc1nc(N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)cc(C)[nH+]1 ZINC000106248835 257273034 /nfs/dbraw/zinc/27/30/34/257273034.db2.gz WNNDRBDOTOKAKU-INIZCTEOSA-N 2 2 318.465 2.021 50 0 DEAALP CCCc1nc(N2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)cc(C)[nH+]1 ZINC000106248835 257273036 /nfs/dbraw/zinc/27/30/36/257273036.db2.gz WNNDRBDOTOKAKU-INIZCTEOSA-N 2 2 318.465 2.021 50 0 DEAALP O=C1[C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCN1c1ccccc1 ZINC000089845607 401967790 /nfs/dbraw/zinc/96/77/90/401967790.db2.gz LHRMDPPDGZJSCV-HOCLYGCPSA-N 2 2 310.401 2.156 50 0 DEAALP O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972691 402039034 /nfs/dbraw/zinc/03/90/34/402039034.db2.gz NFHOOECITZZHNY-DLBZAZTESA-N 2 2 315.417 2.167 50 0 DEAALP 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/nfs/dbraw/zinc/12/50/71/402125071.db2.gz ZOXWRLDVFOLIEP-INIZCTEOSA-N 2 2 310.401 2.387 50 0 DEAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000097446938 402125072 /nfs/dbraw/zinc/12/50/72/402125072.db2.gz ZOXWRLDVFOLIEP-INIZCTEOSA-N 2 2 310.401 2.387 50 0 DEAALP Cn1cc[nH+]c1CN1CC[NH+](CCCOc2ccccc2)CC1 ZINC000069653142 402236329 /nfs/dbraw/zinc/23/63/29/402236329.db2.gz OJCCJJRRYXHSRF-UHFFFAOYSA-N 2 2 314.433 2.007 50 0 DEAALP C[C@H]1CCCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000069655796 402237359 /nfs/dbraw/zinc/23/73/59/402237359.db2.gz ZFQGGUGRMMMYTQ-DOTOQJQBSA-N 2 2 324.513 2.233 50 0 DEAALP C[C@H]1CCCC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000069655796 402237360 /nfs/dbraw/zinc/23/73/60/402237360.db2.gz ZFQGGUGRMMMYTQ-DOTOQJQBSA-N 2 2 324.513 2.233 50 0 DEAALP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000109004717 402266801 /nfs/dbraw/zinc/26/68/01/402266801.db2.gz GHJMTFIWKAGDTR-INIZCTEOSA-N 2 2 324.428 2.375 50 0 DEAALP CNC(=O)c1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000109004717 402266803 /nfs/dbraw/zinc/26/68/03/402266803.db2.gz GHJMTFIWKAGDTR-INIZCTEOSA-N 2 2 324.428 2.375 50 0 DEAALP Cc1ccc(F)cc1CNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219255119 402297999 /nfs/dbraw/zinc/29/79/99/402297999.db2.gz NJGBTGPQHDMFBH-UHFFFAOYSA-N 2 2 301.369 2.323 50 0 DEAALP Cc1[nH+]c2cc(CNc3cc(C4CC([NH3+])C4)ncn3)ccc2n1C ZINC000223129379 402309632 /nfs/dbraw/zinc/30/96/32/402309632.db2.gz DZXUGBKQHQTHIA-UHFFFAOYSA-N 2 2 322.416 2.489 50 0 DEAALP C[N@@H+](CC(=O)Nc1ccc(F)cc1)C[C@H]1CC[NH+](C)C1(C)C ZINC000244866717 402450172 /nfs/dbraw/zinc/45/01/72/402450172.db2.gz WBDSCEWIWKBRDX-CYBMUJFWSA-N 2 2 307.413 2.426 50 0 DEAALP C[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@H]1CC[NH+](C)C1(C)C ZINC000244866717 402450173 /nfs/dbraw/zinc/45/01/73/402450173.db2.gz WBDSCEWIWKBRDX-CYBMUJFWSA-N 2 2 307.413 2.426 50 0 DEAALP C[NH+](CC(=O)Nc1ccc(F)cc1)C[C@H]1CC[N@H+](C)C1(C)C ZINC000244866717 402450176 /nfs/dbraw/zinc/45/01/76/402450176.db2.gz WBDSCEWIWKBRDX-CYBMUJFWSA-N 2 2 307.413 2.426 50 0 DEAALP C[NH+](CC(=O)Nc1ccc(F)cc1)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000244866717 402450179 /nfs/dbraw/zinc/45/01/79/402450179.db2.gz WBDSCEWIWKBRDX-CYBMUJFWSA-N 2 2 307.413 2.426 50 0 DEAALP Cn1c(C[N@H+](C)Cc2cccc(Cl)c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252527544 402658060 /nfs/dbraw/zinc/65/80/60/402658060.db2.gz CVOOVADTCBLXOY-XBXGTLAGSA-N 2 2 319.840 2.305 50 0 DEAALP Cn1c(C[N@@H+](C)Cc2cccc(Cl)c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252527544 402658063 /nfs/dbraw/zinc/65/80/63/402658063.db2.gz CVOOVADTCBLXOY-XBXGTLAGSA-N 2 2 319.840 2.305 50 0 DEAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000252483566 402654973 /nfs/dbraw/zinc/65/49/73/402654973.db2.gz FFDQOXKFBJKLFN-UHFFFAOYSA-N 2 2 324.428 2.478 50 0 DEAALP CC(C)[C@@H](NC(=O)CSCC[NH+]1CCCC1)c1[nH+]ccn1C ZINC000299783015 403573487 /nfs/dbraw/zinc/57/34/87/403573487.db2.gz GODHJNKUDMKFTM-OAHLLOKOSA-N 2 2 324.494 2.062 50 0 DEAALP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000289436445 403962540 /nfs/dbraw/zinc/96/25/40/403962540.db2.gz SQCWTLFTCACGFN-OAHLLOKOSA-N 2 2 319.449 2.489 50 0 DEAALP Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3c[nH+]cn3C)C2=O)c(C)c1 ZINC000188944781 274684194 /nfs/dbraw/zinc/68/41/94/274684194.db2.gz DXNUGZOAJMAGPH-MRXNPFEDSA-N 2 2 312.417 2.240 50 0 DEAALP NC(=O)[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000097113859 303328432 /nfs/dbraw/zinc/32/84/32/303328432.db2.gz SVDNISYCDASOAL-QWHCGFSZSA-N 2 2 321.387 2.037 50 0 DEAALP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(C(=O)C2CCCC2)CC1 ZINC000534633616 334308468 /nfs/dbraw/zinc/30/84/68/334308468.db2.gz VXCVVCRFHSTZNI-CQSZACIVSA-N 2 2 304.438 2.042 50 0 DEAALP Cc1cccc2c1CC[N@@H+](C[C@H](O)C[NH+]1CCC(C)CC1)C2 ZINC000171648983 646709356 /nfs/dbraw/zinc/70/93/56/646709356.db2.gz UUBWHKXXNVYAPD-GOSISDBHSA-N 2 2 302.462 2.446 50 0 DEAALP Cc1cccc2c1CC[N@H+](C[C@H](O)C[NH+]1CCC(C)CC1)C2 ZINC000171648983 646709357 /nfs/dbraw/zinc/70/93/57/646709357.db2.gz UUBWHKXXNVYAPD-GOSISDBHSA-N 2 2 302.462 2.446 50 0 DEAALP Nc1cc[nH+]c(N2C[C@@H]3CC[N@H+](CCCc4ccccc4)[C@@H]3C2)n1 ZINC000082121267 192358768 /nfs/dbraw/zinc/35/87/68/192358768.db2.gz GPVKLFXPUGKFLJ-DLBZAZTESA-N 2 2 323.444 2.202 50 0 DEAALP Nc1cc[nH+]c(N2C[C@@H]3CC[N@@H+](CCCc4ccccc4)[C@@H]3C2)n1 ZINC000082121267 192358771 /nfs/dbraw/zinc/35/87/71/192358771.db2.gz GPVKLFXPUGKFLJ-DLBZAZTESA-N 2 2 323.444 2.202 50 0 DEAALP C[C@H](C1CCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1)[NH+](C)C ZINC000082134664 192361269 /nfs/dbraw/zinc/36/12/69/192361269.db2.gz SHSYUGNETWHHMK-OAHLLOKOSA-N 3 2 313.449 2.493 50 0 DEAALP C[C@H](C1CCN(c2ccc(Cn3cc[nH+]c3)cn2)CC1)[NH+](C)C ZINC000082134664 192361271 /nfs/dbraw/zinc/36/12/71/192361271.db2.gz SHSYUGNETWHHMK-OAHLLOKOSA-N 2 2 313.449 2.493 50 0 DEAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000022029628 354052273 /nfs/dbraw/zinc/05/22/73/354052273.db2.gz XLADGMJAOJTUKK-DLBZAZTESA-N 2 2 306.450 2.117 50 0 DEAALP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000022029628 354052277 /nfs/dbraw/zinc/05/22/77/354052277.db2.gz XLADGMJAOJTUKK-DLBZAZTESA-N 2 2 306.450 2.117 50 0 DEAALP COc1ccc(C[N@@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cc1F ZINC000092107859 193160667 /nfs/dbraw/zinc/16/06/67/193160667.db2.gz IWNQXHHOMJAAFQ-WBVHZDCISA-N 2 2 324.440 2.359 50 0 DEAALP COc1ccc(C[N@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cc1F ZINC000092107859 193160669 /nfs/dbraw/zinc/16/06/69/193160669.db2.gz IWNQXHHOMJAAFQ-WBVHZDCISA-N 2 2 324.440 2.359 50 0 DEAALP CCn1c[nH+]cc1C[NH2+]CC(=O)Nc1ccc(Cl)c(OC)c1 ZINC000065459706 184348513 /nfs/dbraw/zinc/34/85/13/184348513.db2.gz WNKMIWXPBMPGOS-UHFFFAOYSA-N 2 2 322.796 2.293 50 0 DEAALP CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000120830031 195247088 /nfs/dbraw/zinc/24/70/88/195247088.db2.gz JKCXTSMYVQZHCQ-UHFFFAOYSA-N 2 2 319.840 2.353 50 0 DEAALP NC(=O)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000026160455 257211177 /nfs/dbraw/zinc/21/11/77/257211177.db2.gz LXOGFOCLZLMTMC-IBGZPJMESA-N 2 2 323.440 2.467 50 0 DEAALP C[C@@H](O)CCC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408519770 533588315 /nfs/dbraw/zinc/58/83/15/533588315.db2.gz ZWOMFTYLLKAIFE-HZPDHXFCSA-N 2 2 319.449 2.296 50 0 DEAALP C[C@@H](O)CCC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408519770 533588322 /nfs/dbraw/zinc/58/83/22/533588322.db2.gz ZWOMFTYLLKAIFE-HZPDHXFCSA-N 2 2 319.449 2.296 50 0 DEAALP COc1cc(OC)c(OC)cc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000002490779 401714294 /nfs/dbraw/zinc/71/42/94/401714294.db2.gz CRPUMQKKMSZDFB-UHFFFAOYSA-N 2 2 308.422 2.238 50 0 DEAALP COc1cc(OC)c(OC)cc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000002490779 401714297 /nfs/dbraw/zinc/71/42/97/401714297.db2.gz CRPUMQKKMSZDFB-UHFFFAOYSA-N 2 2 308.422 2.238 50 0 DEAALP CC[C@@H](c1nnc(SCC[NH3+])n1Cc1ccccc1)[NH+](C)C ZINC000008428544 401752929 /nfs/dbraw/zinc/75/29/29/401752929.db2.gz NVJILNXJONFRJX-AWEZNQCLSA-N 2 2 319.478 2.390 50 0 DEAALP c1ccc(N2CCN(c3ncccc3C[NH2+]C3CCC3)CC2)[nH+]c1 ZINC000012302928 401783131 /nfs/dbraw/zinc/78/31/31/401783131.db2.gz WQJHICXSQGHVMZ-UHFFFAOYSA-N 2 2 323.444 2.445 50 0 DEAALP C[N@@H+]1CCC[C@@H](CCC(=O)N2CCC(Cn3cc[nH+]c3)CC2)C1 ZINC000095352147 402026584 /nfs/dbraw/zinc/02/65/84/402026584.db2.gz XQODBMQKDMJXBM-INIZCTEOSA-N 2 2 318.465 2.244 50 0 DEAALP C[N@H+]1CCC[C@@H](CCC(=O)N2CCC(Cn3cc[nH+]c3)CC2)C1 ZINC000095352147 402026588 /nfs/dbraw/zinc/02/65/88/402026588.db2.gz XQODBMQKDMJXBM-INIZCTEOSA-N 2 2 318.465 2.244 50 0 DEAALP Cc1[nH+]ccn1CCCNC(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095386680 402031267 /nfs/dbraw/zinc/03/12/67/402031267.db2.gz GMQNKKMSYJOLLV-INIZCTEOSA-N 2 2 318.396 2.140 50 0 DEAALP FC(F)(F)CN1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000095946159 402035834 /nfs/dbraw/zinc/03/58/34/402035834.db2.gz AVGVLVQLORCVSR-UHFFFAOYSA-N 2 2 307.404 2.432 50 0 DEAALP FC(F)(F)CN1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000095946159 402035837 /nfs/dbraw/zinc/03/58/37/402035837.db2.gz AVGVLVQLORCVSR-UHFFFAOYSA-N 2 2 307.404 2.432 50 0 DEAALP Cc1ccc([C@H](CNC(=O)[C@H](C)n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000067266998 402155626 /nfs/dbraw/zinc/15/56/26/402155626.db2.gz QPVVNSMHCSKXLX-HOCLYGCPSA-N 2 2 300.406 2.172 50 0 DEAALP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000108179815 402248161 /nfs/dbraw/zinc/24/81/61/402248161.db2.gz DSJSNJOHAOUPTL-CABCVRRESA-N 2 2 319.449 2.486 50 0 DEAALP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000108179815 402248165 /nfs/dbraw/zinc/24/81/65/402248165.db2.gz DSJSNJOHAOUPTL-CABCVRRESA-N 2 2 319.449 2.486 50 0 DEAALP CN(C)c1[nH+]cccc1O[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000225574870 402321734 /nfs/dbraw/zinc/32/17/34/402321734.db2.gz JETZKVFGFMIMLJ-LBPRGKRZSA-N 2 2 324.388 2.077 50 0 DEAALP COc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000071825267 402283397 /nfs/dbraw/zinc/28/33/97/402283397.db2.gz JJYNMECYIZQSAY-OAHLLOKOSA-N 2 2 300.406 2.269 50 0 DEAALP COc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000071825267 402283398 /nfs/dbraw/zinc/28/33/98/402283398.db2.gz JJYNMECYIZQSAY-OAHLLOKOSA-N 2 2 300.406 2.269 50 0 DEAALP C[C@@H]1C[NH2+]CCN1Cc1ccccc1OCCCn1cc[nH+]c1 ZINC000216112808 402286824 /nfs/dbraw/zinc/28/68/24/402286824.db2.gz IWPGTYXYLJCIQW-MRXNPFEDSA-N 2 2 314.433 2.146 50 0 DEAALP CC1CCC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000071857160 402289090 /nfs/dbraw/zinc/28/90/90/402289090.db2.gz WCSKROCKKCSFOX-UHFFFAOYSA-N 2 2 324.513 2.233 50 0 DEAALP CC1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000071857160 402289094 /nfs/dbraw/zinc/28/90/94/402289094.db2.gz WCSKROCKKCSFOX-UHFFFAOYSA-N 2 2 324.513 2.233 50 0 DEAALP Cc1ccc(NC[C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)[nH+]c1 ZINC000222201781 402306372 /nfs/dbraw/zinc/30/63/72/402306372.db2.gz YAVDDWUDVQZRIE-CRAIPNDOSA-N 2 2 324.428 2.350 50 0 DEAALP Cc1ccc(NC[C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)[nH+]c1 ZINC000222201781 402306376 /nfs/dbraw/zinc/30/63/76/402306376.db2.gz YAVDDWUDVQZRIE-CRAIPNDOSA-N 2 2 324.428 2.350 50 0 DEAALP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562586 402344025 /nfs/dbraw/zinc/34/40/25/402344025.db2.gz GFSQRHSKCKORIG-HOTGVXAUSA-N 2 2 307.482 2.242 50 0 DEAALP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562586 402344027 /nfs/dbraw/zinc/34/40/27/402344027.db2.gz GFSQRHSKCKORIG-HOTGVXAUSA-N 2 2 307.482 2.242 50 0 DEAALP NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC1CCCCC1)C2 ZINC000426518922 405365824 /nfs/dbraw/zinc/36/58/24/405365824.db2.gz GHOYFNXTLAOSOH-GOSISDBHSA-N 2 2 307.482 2.230 50 0 DEAALP NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC1CCCCC1)C2 ZINC000426518922 405365827 /nfs/dbraw/zinc/36/58/27/405365827.db2.gz GHOYFNXTLAOSOH-GOSISDBHSA-N 2 2 307.482 2.230 50 0 DEAALP NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000426518922 405365829 /nfs/dbraw/zinc/36/58/29/405365829.db2.gz GHOYFNXTLAOSOH-GOSISDBHSA-N 2 2 307.482 2.230 50 0 DEAALP NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000426518922 405365830 /nfs/dbraw/zinc/36/58/30/405365830.db2.gz GHOYFNXTLAOSOH-GOSISDBHSA-N 2 2 307.482 2.230 50 0 DEAALP COCc1[nH+]cc(C)n1C[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000575549614 406812472 /nfs/dbraw/zinc/81/24/72/406812472.db2.gz PCOVLQVSOYWASG-HNNXBMFYSA-N 2 2 307.438 2.229 50 0 DEAALP COCc1[nH+]cc(C)n1C[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000575549614 406812473 /nfs/dbraw/zinc/81/24/73/406812473.db2.gz PCOVLQVSOYWASG-HNNXBMFYSA-N 2 2 307.438 2.229 50 0 DEAALP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000408513665 227235793 /nfs/dbraw/zinc/23/57/93/227235793.db2.gz HRCMIIKIKRAXGQ-HOCLYGCPSA-N 2 2 310.401 2.015 50 0 DEAALP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000408513665 227235797 /nfs/dbraw/zinc/23/57/97/227235797.db2.gz HRCMIIKIKRAXGQ-HOCLYGCPSA-N 2 2 310.401 2.015 50 0 DEAALP CCn1c[nH+]cc1CNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000534650017 334311325 /nfs/dbraw/zinc/31/13/25/334311325.db2.gz KATSPLNSTHABCW-UHFFFAOYSA-N 2 2 319.453 2.063 50 0 DEAALP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000097103390 337382361 /nfs/dbraw/zinc/38/23/61/337382361.db2.gz ALCAPYHHFOCNNY-CVEARBPZSA-N 2 2 316.511 2.150 50 0 DEAALP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000097103390 337382362 /nfs/dbraw/zinc/38/23/62/337382362.db2.gz ALCAPYHHFOCNNY-CVEARBPZSA-N 2 2 316.511 2.150 50 0 DEAALP Fc1cccc([C@@]2(C[NH2+]CCCn3cc[nH+]c3)CCOC2)c1 ZINC000019743260 625843215 /nfs/dbraw/zinc/84/32/15/625843215.db2.gz SEDBZPJGJDJRMK-QGZVFWFLSA-N 2 2 303.381 2.360 50 0 DEAALP CCc1[nH]c(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c(C)[nH+]1 ZINC000071928203 683927564 /nfs/dbraw/zinc/92/75/64/683927564.db2.gz PZWWUTXWZQCCFH-OAHLLOKOSA-N 2 2 322.497 2.195 50 0 DEAALP CCc1[nH]c(CN2CC[N@@H+](CC(C)(C)C)[C@H](CCO)C2)c(C)[nH+]1 ZINC000071928203 683927567 /nfs/dbraw/zinc/92/75/67/683927567.db2.gz PZWWUTXWZQCCFH-OAHLLOKOSA-N 2 2 322.497 2.195 50 0 DEAALP Cc1ccc2cc(C[NH2+][C@H](C)[C@@H]3C[N@H+](C)CCN3C)ccc2n1 ZINC000952882949 792797759 /nfs/dbraw/zinc/79/77/59/792797759.db2.gz LRISPSWSUZYSDG-BEFAXECRSA-N 2 2 312.461 2.267 50 0 DEAALP Cc1ccc2cc(C[NH2+][C@H](C)[C@@H]3C[N@@H+](C)CCN3C)ccc2n1 ZINC000952882949 792797768 /nfs/dbraw/zinc/79/77/68/792797768.db2.gz LRISPSWSUZYSDG-BEFAXECRSA-N 2 2 312.461 2.267 50 0 DEAALP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)C1(C)C ZINC000404706050 802028598 /nfs/dbraw/zinc/02/85/98/802028598.db2.gz JFUSNEPREFQXDB-CHWSQXEVSA-N 2 2 308.426 2.165 50 0 DEAALP Fc1ccc(N2CCC([NH2+]CCc3[nH]cc[nH+]3)CC2)cc1F ZINC001506410816 1061949221 /nfs/dbraw/zinc/94/92/21/1061949221.db2.gz FUUSAJDLFCKLDT-UHFFFAOYSA-N 2 2 306.360 2.489 50 0 DEAALP Cc1ccc2[nH]c(CCC(=O)N3CCCC[C@H]([NH3+])C3)[nH+]c2c1C ZINC000082138625 192360885 /nfs/dbraw/zinc/36/08/85/192360885.db2.gz OLMLKWJADZPVIU-AWEZNQCLSA-N 2 2 314.433 2.452 50 0 DEAALP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000257365245 356338781 /nfs/dbraw/zinc/33/87/81/356338781.db2.gz KREBRVUSFIZFIY-DOTOQJQBSA-N 2 2 312.417 2.007 50 0 DEAALP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000257365245 356338782 /nfs/dbraw/zinc/33/87/82/356338782.db2.gz KREBRVUSFIZFIY-DOTOQJQBSA-N 2 2 312.417 2.007 50 0 DEAALP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000237550334 202278692 /nfs/dbraw/zinc/27/86/92/202278692.db2.gz RRSKRWJWRJRGCQ-YJBOKZPZSA-N 2 2 311.429 2.151 50 0 DEAALP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000237550334 202278695 /nfs/dbraw/zinc/27/86/95/202278695.db2.gz RRSKRWJWRJRGCQ-YJBOKZPZSA-N 2 2 311.429 2.151 50 0 DEAALP C[NH+](C)C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(Cl)s2)C1 ZINC000091877081 193121961 /nfs/dbraw/zinc/12/19/61/193121961.db2.gz XQNVEAVJWUJTPL-NEPJUHHUSA-N 2 2 302.871 2.394 50 0 DEAALP C[NH+](C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000091877081 193121963 /nfs/dbraw/zinc/12/19/63/193121963.db2.gz XQNVEAVJWUJTPL-NEPJUHHUSA-N 2 2 302.871 2.394 50 0 DEAALP C[NH+](C)C[C@@H]1C[N@H+](Cc2c[nH]nc2C2CCCCC2)C[C@@H]1CO ZINC000092003768 193139850 /nfs/dbraw/zinc/13/98/50/193139850.db2.gz JYLWXMIBDQTRMR-IAGOWNOFSA-N 2 2 320.481 2.059 50 0 DEAALP C[NH+](C)C[C@@H]1C[N@@H+](Cc2c[nH]nc2C2CCCCC2)C[C@@H]1CO ZINC000092003768 193139851 /nfs/dbraw/zinc/13/98/51/193139851.db2.gz JYLWXMIBDQTRMR-IAGOWNOFSA-N 2 2 320.481 2.059 50 0 DEAALP CSCCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1[nH]c[nH+]c1C)C2 ZINC000092062392 193150244 /nfs/dbraw/zinc/15/02/44/193150244.db2.gz ZGOXZIHZYLXUJU-LSDHHAIUSA-N 2 2 308.495 2.367 50 0 DEAALP CSCCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1[nH]c[nH+]c1C)C2 ZINC000092062392 193150246 /nfs/dbraw/zinc/15/02/46/193150246.db2.gz ZGOXZIHZYLXUJU-LSDHHAIUSA-N 2 2 308.495 2.367 50 0 DEAALP COCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017413 193195208 /nfs/dbraw/zinc/19/52/08/193195208.db2.gz PHWDFJJCGVLYDC-LJQANCHMSA-N 2 2 318.461 2.377 50 0 DEAALP COCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017413 193195209 /nfs/dbraw/zinc/19/52/09/193195209.db2.gz PHWDFJJCGVLYDC-LJQANCHMSA-N 2 2 318.461 2.377 50 0 DEAALP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)n1cc[nH+]c1)c1ccco1 ZINC000058354803 184107922 /nfs/dbraw/zinc/10/79/22/184107922.db2.gz HAWLLWSFXXOADU-UONOGXRCSA-N 2 2 304.394 2.236 50 0 DEAALP C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000058331278 184106485 /nfs/dbraw/zinc/10/64/85/184106485.db2.gz XELONFLGZYXIHL-HUUCEWRRSA-N 2 2 322.416 2.461 50 0 DEAALP CC[NH+](CC)CCN(CCOC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000075107032 401749451 /nfs/dbraw/zinc/74/94/51/401749451.db2.gz UXSYIGWLMNHWAK-UHFFFAOYSA-N 2 2 306.454 2.457 50 0 DEAALP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2Cl)CC1 ZINC000012904685 401793357 /nfs/dbraw/zinc/79/33/57/401793357.db2.gz AWQZPKZQQOJDLX-UHFFFAOYSA-N 2 2 323.868 2.372 50 0 DEAALP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2Cl)CC1 ZINC000012904685 401793358 /nfs/dbraw/zinc/79/33/58/401793358.db2.gz AWQZPKZQQOJDLX-UHFFFAOYSA-N 2 2 323.868 2.372 50 0 DEAALP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccnc2)nc[nH+]1 ZINC000095351538 402026512 /nfs/dbraw/zinc/02/65/12/402026512.db2.gz ZTJFVDHKBCYVFM-HIFRSBDPSA-N 2 2 312.421 2.233 50 0 DEAALP Brc1cc2c(c(C[NH2+]CCn3cc[nH+]c3)c1)OCC2 ZINC000096501770 402097392 /nfs/dbraw/zinc/09/73/92/402097392.db2.gz HWGYJNAEJLGHBW-UHFFFAOYSA-N 2 2 322.206 2.370 50 0 DEAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2Cl)CC1 ZINC000067471755 402160696 /nfs/dbraw/zinc/16/06/96/402160696.db2.gz PQKVPYVSKCUZDR-CQSZACIVSA-N 2 2 323.868 2.324 50 0 DEAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2Cl)CC1 ZINC000067471755 402160699 /nfs/dbraw/zinc/16/06/99/402160699.db2.gz PQKVPYVSKCUZDR-CQSZACIVSA-N 2 2 323.868 2.324 50 0 DEAALP C[C@@H](C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)N1CCOCC1 ZINC000067560273 402162184 /nfs/dbraw/zinc/16/21/84/402162184.db2.gz GEALUZVGLDKENT-INIZCTEOSA-N 2 2 314.433 2.025 50 0 DEAALP C[C@@H](C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)N1CCOCC1 ZINC000067560273 402162187 /nfs/dbraw/zinc/16/21/87/402162187.db2.gz GEALUZVGLDKENT-INIZCTEOSA-N 2 2 314.433 2.025 50 0 DEAALP C[C@@H]([NH3+])CC(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000071315095 402273066 /nfs/dbraw/zinc/27/30/66/402273066.db2.gz TVQQDTSBAKZFKD-CQSZACIVSA-N 2 2 312.417 2.072 50 0 DEAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000229941799 402346225 /nfs/dbraw/zinc/34/62/25/402346225.db2.gz YPMFMGUBLZJKFP-OIISXLGYSA-N 2 2 306.475 2.280 50 0 DEAALP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000229941799 402346228 /nfs/dbraw/zinc/34/62/28/402346228.db2.gz YPMFMGUBLZJKFP-OIISXLGYSA-N 2 2 306.475 2.280 50 0 DEAALP CC(C)[N@@H+]1CC[C@@H](C[NH+](C)CC(=O)N(C)c2ccccc2)C1 ZINC000244882682 402451270 /nfs/dbraw/zinc/45/12/70/402451270.db2.gz XWNOBHGVHNSTPU-INIZCTEOSA-N 2 2 303.450 2.312 50 0 DEAALP CC(C)[N@H+]1CC[C@@H](C[NH+](C)CC(=O)N(C)c2ccccc2)C1 ZINC000244882682 402451273 /nfs/dbraw/zinc/45/12/73/402451273.db2.gz XWNOBHGVHNSTPU-INIZCTEOSA-N 2 2 303.450 2.312 50 0 DEAALP CC(C)[NH+]1CC[C@@H](C[N@H+](C)CC(=O)N(C)c2ccccc2)C1 ZINC000244882682 402451274 /nfs/dbraw/zinc/45/12/74/402451274.db2.gz XWNOBHGVHNSTPU-INIZCTEOSA-N 2 2 303.450 2.312 50 0 DEAALP CC(C)[NH+]1CC[C@@H](C[N@@H+](C)CC(=O)N(C)c2ccccc2)C1 ZINC000244882682 402451277 /nfs/dbraw/zinc/45/12/77/402451277.db2.gz XWNOBHGVHNSTPU-INIZCTEOSA-N 2 2 303.450 2.312 50 0 DEAALP OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426428229 405359179 /nfs/dbraw/zinc/35/91/79/405359179.db2.gz FLSZMKIIOISHBL-QGZVFWFLSA-N 2 2 310.388 2.245 50 0 DEAALP OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426428229 405359181 /nfs/dbraw/zinc/35/91/81/405359181.db2.gz FLSZMKIIOISHBL-QGZVFWFLSA-N 2 2 310.388 2.245 50 0 DEAALP OCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000426428229 405359183 /nfs/dbraw/zinc/35/91/83/405359183.db2.gz FLSZMKIIOISHBL-QGZVFWFLSA-N 2 2 310.388 2.245 50 0 DEAALP OCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000426428229 405359187 /nfs/dbraw/zinc/35/91/87/405359187.db2.gz FLSZMKIIOISHBL-QGZVFWFLSA-N 2 2 310.388 2.245 50 0 DEAALP C[C@H](CC(N)=O)[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000022357381 279249960 /nfs/dbraw/zinc/24/99/60/279249960.db2.gz QPLSPTNASRNDRE-KGLIPLIRSA-N 2 2 309.479 2.375 50 0 DEAALP NC(=O)[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000097113858 295148508 /nfs/dbraw/zinc/14/85/08/295148508.db2.gz SVDNISYCDASOAL-STQMWFEESA-N 2 2 321.387 2.037 50 0 DEAALP Cc1c[nH]c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)o2)[nH+]1 ZINC000534574465 334287545 /nfs/dbraw/zinc/28/75/45/334287545.db2.gz QRMGVKBALGXSFK-LBPRGKRZSA-N 2 2 302.378 2.398 50 0 DEAALP Cn1cc[nH+]c1CC[N@@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC001506399099 1061939423 /nfs/dbraw/zinc/93/94/23/1061939423.db2.gz JWBXMIAPISRDMR-MRXNPFEDSA-N 2 2 300.406 2.039 50 0 DEAALP Cn1cc[nH+]c1CC[N@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC001506399099 1061939446 /nfs/dbraw/zinc/93/94/46/1061939446.db2.gz JWBXMIAPISRDMR-MRXNPFEDSA-N 2 2 300.406 2.039 50 0 DEAALP C[NH+]1CCN(c2ncc(C[NH2+]C3(c4ccccc4)CC3)cn2)CC1 ZINC000095416658 185358921 /nfs/dbraw/zinc/35/89/21/185358921.db2.gz WJPAVEXUPPXLHJ-UHFFFAOYSA-N 2 2 323.444 2.007 50 0 DEAALP Cc1nn(C)c2nc[nH+]c(NCC3(Cn4cc[nH+]c4C)CC3)c12 ZINC000072463649 191174548 /nfs/dbraw/zinc/17/45/48/191174548.db2.gz CHENRHPLTRLWIO-UHFFFAOYSA-N 2 2 311.393 2.069 50 0 DEAALP C[C@@H]1C[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)C[N@@H+]1C1CC1 ZINC000079073648 355295310 /nfs/dbraw/zinc/29/53/10/355295310.db2.gz IPTGHYXYGVCAFM-WBMJQRKESA-N 2 2 320.408 2.450 50 0 DEAALP C[C@@H]1C[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)C[N@H+]1C1CC1 ZINC000079073648 355295314 /nfs/dbraw/zinc/29/53/14/355295314.db2.gz IPTGHYXYGVCAFM-WBMJQRKESA-N 2 2 320.408 2.450 50 0 DEAALP COc1ccc2oc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2c1 ZINC000110697903 355745037 /nfs/dbraw/zinc/74/50/37/355745037.db2.gz LMXCSVHOAPXFTI-YOEHRIQHSA-N 2 2 316.401 2.394 50 0 DEAALP COc1ccc2oc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2c1 ZINC000110697903 355745038 /nfs/dbraw/zinc/74/50/38/355745038.db2.gz LMXCSVHOAPXFTI-YOEHRIQHSA-N 2 2 316.401 2.394 50 0 DEAALP CC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170595640 355986843 /nfs/dbraw/zinc/98/68/43/355986843.db2.gz JNYHCAGIAFAYMC-AWEZNQCLSA-N 2 2 315.421 2.184 50 0 DEAALP CC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170595640 355986845 /nfs/dbraw/zinc/98/68/45/355986845.db2.gz JNYHCAGIAFAYMC-AWEZNQCLSA-N 2 2 315.421 2.184 50 0 DEAALP C[C@@H](CCNC(=O)N(C)CC[NH+]1CCCCCC1)n1cc[nH+]c1 ZINC000584897322 357329654 /nfs/dbraw/zinc/32/96/54/357329654.db2.gz WFTBUQPVSRXHRA-INIZCTEOSA-N 2 2 321.469 2.352 50 0 DEAALP O=C(C1CCC1)N1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000670453642 540935766 /nfs/dbraw/zinc/93/57/66/540935766.db2.gz IQOMYFBDLNZUPP-ZWKOTPCHSA-N 2 2 319.493 2.195 50 0 DEAALP O=C(C1CCC1)N1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000670453642 540935768 /nfs/dbraw/zinc/93/57/68/540935768.db2.gz IQOMYFBDLNZUPP-ZWKOTPCHSA-N 2 2 319.493 2.195 50 0 DEAALP OC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1C[NH+]1CCCC1 ZINC000091548026 193071440 /nfs/dbraw/zinc/07/14/40/193071440.db2.gz MJEXDGFIMWSGKR-HZPDHXFCSA-N 2 2 308.853 2.476 50 0 DEAALP OC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1C[NH+]1CCCC1 ZINC000091548026 193071442 /nfs/dbraw/zinc/07/14/42/193071442.db2.gz MJEXDGFIMWSGKR-HZPDHXFCSA-N 2 2 308.853 2.476 50 0 DEAALP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)n1cc[nH+]c1)c1ccco1 ZINC000058354802 184107999 /nfs/dbraw/zinc/10/79/99/184107999.db2.gz HAWLLWSFXXOADU-KBPBESRZSA-N 2 2 304.394 2.236 50 0 DEAALP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000065288877 184323526 /nfs/dbraw/zinc/32/35/26/184323526.db2.gz ULRGEUZCODLILD-MRXNPFEDSA-N 2 2 304.438 2.140 50 0 DEAALP CC(C)[NH+]1CCC(C(=O)NCCc2c[nH+]c3ccccn23)CC1 ZINC000065403459 184337006 /nfs/dbraw/zinc/33/70/06/184337006.db2.gz IFDWQQIWGDLZMU-UHFFFAOYSA-N 2 2 314.433 2.113 50 0 DEAALP OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426428228 285260578 /nfs/dbraw/zinc/26/05/78/285260578.db2.gz FLSZMKIIOISHBL-KRWDZBQOSA-N 2 2 310.388 2.245 50 0 DEAALP OCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426428228 285260579 /nfs/dbraw/zinc/26/05/79/285260579.db2.gz FLSZMKIIOISHBL-KRWDZBQOSA-N 2 2 310.388 2.245 50 0 DEAALP OCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000426428228 285260582 /nfs/dbraw/zinc/26/05/82/285260582.db2.gz FLSZMKIIOISHBL-KRWDZBQOSA-N 2 2 310.388 2.245 50 0 DEAALP OCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000426428228 285260584 /nfs/dbraw/zinc/26/05/84/285260584.db2.gz FLSZMKIIOISHBL-KRWDZBQOSA-N 2 2 310.388 2.245 50 0 DEAALP COc1c2c(cc3c1[C@H](Nc1cc[nH+]cc1)[N@@H+](C)CC3)OCO2 ZINC000004090478 401725510 /nfs/dbraw/zinc/72/55/10/401725510.db2.gz HUQDBZGOUSLPHP-QGZVFWFLSA-N 2 2 313.357 2.418 50 0 biogenic DEAALP CN(CC1CCC1)C(=O)NCC(C)(C)[NH+]1CCC([NH+](C)C)CC1 ZINC000071897787 401694692 /nfs/dbraw/zinc/69/46/92/401694692.db2.gz JCQFOLDMVKQOEB-UHFFFAOYSA-N 2 2 324.513 2.233 50 0 DEAALP Cc1nnc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000084291496 401904341 /nfs/dbraw/zinc/90/43/41/401904341.db2.gz OCZIYLDMXKMFRL-ZIAGYGMSSA-N 2 2 322.453 2.089 50 0 DEAALP CCC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)[C@@H](C)C1 ZINC000089941566 401976172 /nfs/dbraw/zinc/97/61/72/401976172.db2.gz RCOCUPYDPDYETD-GOEBONIOSA-N 2 2 314.433 2.379 50 0 DEAALP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000089406849 401945083 /nfs/dbraw/zinc/94/50/83/401945083.db2.gz TXGHUHMIVOIEGD-BPLDGKMQSA-N 2 2 320.458 2.451 50 0 DEAALP COC(=O)c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000089406849 401945084 /nfs/dbraw/zinc/94/50/84/401945084.db2.gz TXGHUHMIVOIEGD-BPLDGKMQSA-N 2 2 320.458 2.451 50 0 DEAALP COC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000089406849 401945085 /nfs/dbraw/zinc/94/50/85/401945085.db2.gz TXGHUHMIVOIEGD-BPLDGKMQSA-N 2 2 320.458 2.451 50 0 DEAALP COC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000089406849 401945086 /nfs/dbraw/zinc/94/50/86/401945086.db2.gz TXGHUHMIVOIEGD-BPLDGKMQSA-N 2 2 320.458 2.451 50 0 DEAALP COC1CC[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051155389 402032129 /nfs/dbraw/zinc/03/21/29/402032129.db2.gz INOXPDQRAGJGRU-HNNXBMFYSA-N 2 2 317.433 2.125 50 0 DEAALP O=C(CCCn1cc[nH+]c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000096411825 402080220 /nfs/dbraw/zinc/08/02/20/402080220.db2.gz HORKJNARJLSIKT-UHFFFAOYSA-N 2 2 309.373 2.165 50 0 DEAALP Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)CN2 ZINC000058333152 402100266 /nfs/dbraw/zinc/10/02/66/402100266.db2.gz PRJBIRNXGKPWOH-OAHLLOKOSA-N 2 2 322.416 2.209 50 0 DEAALP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1ccccc1 ZINC000097200503 402116237 /nfs/dbraw/zinc/11/62/37/402116237.db2.gz VGMZFSKLJFTYNJ-QGZVFWFLSA-N 2 2 324.428 2.132 50 0 DEAALP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1ccccc1 ZINC000097200503 402116239 /nfs/dbraw/zinc/11/62/39/402116239.db2.gz VGMZFSKLJFTYNJ-QGZVFWFLSA-N 2 2 324.428 2.132 50 0 DEAALP C[NH2+]CCC[NH2+]C1CCN(c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000063845146 402116561 /nfs/dbraw/zinc/11/65/61/402116561.db2.gz FMUBJKQUYASKMD-UHFFFAOYSA-N 3 2 313.449 2.040 50 0 DEAALP C[C@H]([NH2+]Cc1ncc[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000066593997 402137373 /nfs/dbraw/zinc/13/73/73/402137373.db2.gz NJGJTUSERZZHDE-ZDUSSCGKSA-N 2 2 317.412 2.151 50 0 DEAALP c1ccc(-c2ncc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cn2)nc1 ZINC000067789864 402173025 /nfs/dbraw/zinc/17/30/25/402173025.db2.gz FPNZRMCUOPGJOI-GOSISDBHSA-N 2 2 309.417 2.114 50 0 DEAALP c1ccc(-c2ncc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cn2)nc1 ZINC000067789864 402173027 /nfs/dbraw/zinc/17/30/27/402173027.db2.gz FPNZRMCUOPGJOI-GOSISDBHSA-N 2 2 309.417 2.114 50 0 DEAALP Cc1cccn2cc(CC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)[nH+]c12 ZINC000069661874 402237841 /nfs/dbraw/zinc/23/78/41/402237841.db2.gz KRQDNNIGGFLGHN-MRXNPFEDSA-N 2 2 323.400 2.245 50 0 DEAALP C[N@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2ccc(Cn3cccn3)cc2)C1 ZINC000216299948 402288540 /nfs/dbraw/zinc/28/85/40/402288540.db2.gz ISYPBGUHNJCKNQ-RBUKOAKNSA-N 2 2 310.445 2.457 50 0 DEAALP C[N@@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2ccc(Cn3cccn3)cc2)C1 ZINC000216299948 402288541 /nfs/dbraw/zinc/28/85/41/402288541.db2.gz ISYPBGUHNJCKNQ-RBUKOAKNSA-N 2 2 310.445 2.457 50 0 DEAALP C[NH+]1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(Cn3cccn3)cc2)C1 ZINC000216299948 402288542 /nfs/dbraw/zinc/28/85/42/402288542.db2.gz ISYPBGUHNJCKNQ-RBUKOAKNSA-N 2 2 310.445 2.457 50 0 DEAALP C[NH+]1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(Cn3cccn3)cc2)C1 ZINC000216299948 402288543 /nfs/dbraw/zinc/28/85/43/402288543.db2.gz ISYPBGUHNJCKNQ-RBUKOAKNSA-N 2 2 310.445 2.457 50 0 DEAALP COc1ccc2[nH]c(CC[N@H+](C)CCn3nccc3C)[nH+]c2c1 ZINC000244795382 402449778 /nfs/dbraw/zinc/44/97/78/402449778.db2.gz RFLHXPWRCZBMKW-UHFFFAOYSA-N 2 2 313.405 2.251 50 0 DEAALP COc1ccc2[nH]c(CC[N@@H+](C)CCn3nccc3C)[nH+]c2c1 ZINC000244795382 402449781 /nfs/dbraw/zinc/44/97/81/402449781.db2.gz RFLHXPWRCZBMKW-UHFFFAOYSA-N 2 2 313.405 2.251 50 0 DEAALP Cn1c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2oc1=O ZINC000242302429 402444309 /nfs/dbraw/zinc/44/43/09/402444309.db2.gz YSODJJJIXIPLPG-UHFFFAOYSA-N 2 2 312.373 2.165 50 0 DEAALP CSCc1noc(C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)n1 ZINC000243932276 402447102 /nfs/dbraw/zinc/44/71/02/402447102.db2.gz BUCXHJZGCKBKJW-UHFFFAOYSA-N 2 2 321.450 2.350 50 0 DEAALP Cc1ccc([C@@H](CNC(=O)CCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000299635660 229284819 /nfs/dbraw/zinc/28/48/19/229284819.db2.gz HLJJZBUNHHBZQT-MRXNPFEDSA-N 2 2 300.406 2.001 50 0 DEAALP CN(CCCc1ccccc1)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244633555 424886466 /nfs/dbraw/zinc/88/64/66/424886466.db2.gz GEWDVKONEKBDNP-GASCZTMLSA-N 2 2 311.433 2.333 50 0 DEAALP C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000237119935 277276185 /nfs/dbraw/zinc/27/61/85/277276185.db2.gz RNAWCFCGEJVUMT-NADMHLTPSA-N 2 2 310.401 2.096 50 0 DEAALP Cc1c[nH+]c(C2CC[NH+](Cc3ccncc3F)CC2)n1CCO ZINC000675020724 778336678 /nfs/dbraw/zinc/33/66/78/778336678.db2.gz IBLQJVHMKZCYIJ-UHFFFAOYSA-N 2 2 318.396 2.098 50 0 DEAALP OCCn1c2ccccc2[nH+]c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095510588 185376246 /nfs/dbraw/zinc/37/62/46/185376246.db2.gz IFXKIEZZQBEQFR-CYBMUJFWSA-N 2 2 311.389 2.136 50 0 DEAALP COc1cc(N2CCC(c3[nH+]ccn3C(C)C)CC2)nc(N)[nH+]1 ZINC000095390907 185351468 /nfs/dbraw/zinc/35/14/68/185351468.db2.gz YPURYDHTXHUTGV-UHFFFAOYSA-N 2 2 316.409 2.229 50 0 DEAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(C)o2)nc[nH+]1 ZINC000072254085 191088295 /nfs/dbraw/zinc/08/82/95/191088295.db2.gz QKLRIBOPKWFIFB-CYBMUJFWSA-N 2 2 301.394 2.178 50 0 DEAALP CCOc1cc2c(cc1C[N@@H+]1CC[C@](O)(C[NH+](C)C)C1)CCC2 ZINC000072409207 191154331 /nfs/dbraw/zinc/15/43/31/191154331.db2.gz HZVBSIAFIYHVGQ-IBGZPJMESA-N 2 2 318.461 2.072 50 0 DEAALP CCOc1cc2c(cc1C[N@H+]1CC[C@](O)(C[NH+](C)C)C1)CCC2 ZINC000072409207 191154333 /nfs/dbraw/zinc/15/43/33/191154333.db2.gz HZVBSIAFIYHVGQ-IBGZPJMESA-N 2 2 318.461 2.072 50 0 DEAALP CCCCNC(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000091665673 193088228 /nfs/dbraw/zinc/08/82/28/193088228.db2.gz ARTAIJXDZCBMAL-UHFFFAOYSA-N 2 2 321.469 2.134 50 0 DEAALP Cc1nn(C)c(N(C)C)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000058405297 184113493 /nfs/dbraw/zinc/11/34/93/184113493.db2.gz ARDDFWFUSAWHAS-UHFFFAOYSA-N 2 2 307.486 2.147 50 0 DEAALP CCc1[nH]c(CN2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)[nH+]1 ZINC000065455849 184347306 /nfs/dbraw/zinc/34/73/06/184347306.db2.gz HWFFJONXZLDTOE-OKILXGFUSA-N 2 2 320.481 2.354 50 0 DEAALP CCc1[nH]c(CN2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)[nH+]1 ZINC000065455849 184347309 /nfs/dbraw/zinc/34/73/09/184347309.db2.gz HWFFJONXZLDTOE-OKILXGFUSA-N 2 2 320.481 2.354 50 0 DEAALP CC[NH+](CC)CCC[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000003295809 401724044 /nfs/dbraw/zinc/72/40/44/401724044.db2.gz QTJVYLARCWMHTN-UHFFFAOYSA-N 2 2 303.450 2.287 50 0 DEAALP CCc1[nH+]c(C)ccc1OCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000067935418 402179043 /nfs/dbraw/zinc/17/90/43/402179043.db2.gz YLVLOBMQUIPBFH-HNNXBMFYSA-N 2 2 317.433 2.028 50 0 DEAALP CCc1[nH+]c(C)ccc1OCC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000067935418 402179046 /nfs/dbraw/zinc/17/90/46/402179046.db2.gz YLVLOBMQUIPBFH-HNNXBMFYSA-N 2 2 317.433 2.028 50 0 DEAALP CCc1[nH]c(C[N@@H+]2CC[C@H](CNC(=O)C=C(C)C)C2)c(C)[nH+]1 ZINC000067588137 402163903 /nfs/dbraw/zinc/16/39/03/402163903.db2.gz RKXHSCLEBVJWMN-CQSZACIVSA-N 2 2 304.438 2.185 50 0 DEAALP CCc1[nH]c(C[N@H+]2CC[C@H](CNC(=O)C=C(C)C)C2)c(C)[nH+]1 ZINC000067588137 402163907 /nfs/dbraw/zinc/16/39/07/402163907.db2.gz RKXHSCLEBVJWMN-CQSZACIVSA-N 2 2 304.438 2.185 50 0 DEAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC000106135159 402212781 /nfs/dbraw/zinc/21/27/81/402212781.db2.gz IRGAOAOQQCTCGN-HLLBOEOZSA-N 2 2 312.417 2.396 50 0 DEAALP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC000106135159 402212782 /nfs/dbraw/zinc/21/27/82/402212782.db2.gz IRGAOAOQQCTCGN-HLLBOEOZSA-N 2 2 312.417 2.396 50 0 DEAALP [NH3+][C@@H]1CCCN(Cc2cccc(OCCCn3cc[nH+]c3)c2)C1 ZINC000215178760 402281306 /nfs/dbraw/zinc/28/13/06/402281306.db2.gz DEVMXVIXFZPTNY-QGZVFWFLSA-N 2 2 314.433 2.275 50 0 DEAALP CC[N@H+](C)C[C@H](C)CNC(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000215750997 402284981 /nfs/dbraw/zinc/28/49/81/402284981.db2.gz RMXJNGPGEKWAGG-CYBMUJFWSA-N 2 2 300.406 2.394 50 0 DEAALP CC[N@@H+](C)C[C@H](C)CNC(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000215750997 402284983 /nfs/dbraw/zinc/28/49/83/402284983.db2.gz RMXJNGPGEKWAGG-CYBMUJFWSA-N 2 2 300.406 2.394 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)[nH+]1 ZINC000215870261 402285281 /nfs/dbraw/zinc/28/52/81/402285281.db2.gz HHHKXAKXGJMLAP-INIZCTEOSA-N 2 2 312.417 2.166 50 0 DEAALP Cc1c[nH]c(CN(C)C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)[nH+]1 ZINC000215870261 402285284 /nfs/dbraw/zinc/28/52/84/402285284.db2.gz HHHKXAKXGJMLAP-INIZCTEOSA-N 2 2 312.417 2.166 50 0 DEAALP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000408513663 227235644 /nfs/dbraw/zinc/23/56/44/227235644.db2.gz HRCMIIKIKRAXGQ-GDBMZVCRSA-N 2 2 310.401 2.015 50 0 DEAALP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000408513663 227235649 /nfs/dbraw/zinc/23/56/49/227235649.db2.gz HRCMIIKIKRAXGQ-GDBMZVCRSA-N 2 2 310.401 2.015 50 0 DEAALP C[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000058331282 274251570 /nfs/dbraw/zinc/25/15/70/274251570.db2.gz XELONFLGZYXIHL-CABCVRRESA-N 2 2 322.416 2.461 50 0 DEAALP COc1ccc(/C=C/C[N@@H+]2CCO[C@@H](CC[NH+](C)C)C2)cc1 ZINC000012386559 636537488 /nfs/dbraw/zinc/53/74/88/636537488.db2.gz QRJJEVHMJHJLJZ-WRFKIARRSA-N 2 2 304.434 2.361 50 0 DEAALP COc1ccc(/C=C/C[N@H+]2CCO[C@@H](CC[NH+](C)C)C2)cc1 ZINC000012386559 636537489 /nfs/dbraw/zinc/53/74/89/636537489.db2.gz QRJJEVHMJHJLJZ-WRFKIARRSA-N 2 2 304.434 2.361 50 0 DEAALP Cc1c[nH+]c(N2CCC([NH+]3CCCCC3)CC2)nc1N(C)C ZINC000065493681 683923486 /nfs/dbraw/zinc/92/34/86/683923486.db2.gz WTAHARQLSQUXOK-UHFFFAOYSA-N 2 2 303.454 2.306 50 0 DEAALP CC(C)C[N@H+](C1CN(C(=O)c2ccco2)C1)C1CC[NH+](C)CC1 ZINC000581799638 777828918 /nfs/dbraw/zinc/82/89/18/777828918.db2.gz BKSCZQANWFFGQJ-UHFFFAOYSA-N 2 2 319.449 2.156 50 0 DEAALP CC(C)C[N@@H+](C1CN(C(=O)c2ccco2)C1)C1CC[NH+](C)CC1 ZINC000581799638 777828931 /nfs/dbraw/zinc/82/89/31/777828931.db2.gz BKSCZQANWFFGQJ-UHFFFAOYSA-N 2 2 319.449 2.156 50 0 DEAALP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cnccc3Cl)C2)CC1 ZINC000952865040 792799490 /nfs/dbraw/zinc/79/94/90/792799490.db2.gz NTUKUWLGZWOUBR-OAHLLOKOSA-N 2 2 322.884 2.194 50 0 DEAALP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cnccc3Cl)C2)CC1 ZINC000952865040 792799495 /nfs/dbraw/zinc/79/94/95/792799495.db2.gz NTUKUWLGZWOUBR-OAHLLOKOSA-N 2 2 322.884 2.194 50 0 DEAALP FC(F)(F)c1nc(C[NH2+]CCn2cc[nH+]c2)c2n1CCCC2 ZINC000952992828 792854530 /nfs/dbraw/zinc/85/45/30/792854530.db2.gz SDJVXXKFMUHBHW-UHFFFAOYSA-N 2 2 313.327 2.225 50 0 DEAALP NC(=O)Cn1cc[nH+]c1[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000095528328 185378389 /nfs/dbraw/zinc/37/83/89/185378389.db2.gz DGNAGJFKFRFRFE-AUNFYEFLSA-N 2 2 324.428 2.261 50 0 DEAALP 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COc1cc[nH+]c(CN2CCC([NH+]3CCSCC3)CC2)c1 ZINC000244873007 402450030 /nfs/dbraw/zinc/45/00/30/402450030.db2.gz WIGURALKUFZXKL-UHFFFAOYSA-N 2 2 307.463 2.103 50 0 DEAALP COc1ccc(NC(=O)C[N@H+](C)C[C@H]2CC[NH+](C)C2(C)C)cc1 ZINC000244884076 402450885 /nfs/dbraw/zinc/45/08/85/402450885.db2.gz YETOIZYYTAWZDD-CQSZACIVSA-N 2 2 319.449 2.296 50 0 DEAALP COc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CC[NH+](C)C2(C)C)cc1 ZINC000244884076 402450889 /nfs/dbraw/zinc/45/08/89/402450889.db2.gz YETOIZYYTAWZDD-CQSZACIVSA-N 2 2 319.449 2.296 50 0 DEAALP COc1ccc(NC(=O)C[NH+](C)C[C@H]2CC[N@H+](C)C2(C)C)cc1 ZINC000244884076 402450890 /nfs/dbraw/zinc/45/08/90/402450890.db2.gz YETOIZYYTAWZDD-CQSZACIVSA-N 2 2 319.449 2.296 50 0 DEAALP COc1ccc(NC(=O)C[NH+](C)C[C@H]2CC[N@@H+](C)C2(C)C)cc1 ZINC000244884076 402450893 /nfs/dbraw/zinc/45/08/93/402450893.db2.gz YETOIZYYTAWZDD-CQSZACIVSA-N 2 2 319.449 2.296 50 0 DEAALP Nc1nc(NCCCOc2ccccc2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000252536517 402658274 /nfs/dbraw/zinc/65/82/74/402658274.db2.gz IULRQRFGKQSIDP-BETUJISGSA-N 2 2 313.405 2.145 50 0 DEAALP CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](CCn1cc[nH+]c1)C2 ZINC000253426662 402666015 /nfs/dbraw/zinc/66/60/15/402666015.db2.gz ICOPSCPUUHZHKC-WMLDXEAASA-N 2 2 305.422 2.327 50 0 DEAALP CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](CCn1cc[nH+]c1)C2 ZINC000253426662 402666017 /nfs/dbraw/zinc/66/60/17/402666017.db2.gz ICOPSCPUUHZHKC-WMLDXEAASA-N 2 2 305.422 2.327 50 0 DEAALP O=C(NCCc1c[nH+]c[nH]1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299776344 403571678 /nfs/dbraw/zinc/57/16/78/403571678.db2.gz AUYGLLCPBWSVPU-KSZLIROESA-N 2 2 324.428 2.294 50 0 DEAALP O=C(NCCc1c[nH+]c[nH]1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299776344 403571684 /nfs/dbraw/zinc/57/16/84/403571684.db2.gz AUYGLLCPBWSVPU-KSZLIROESA-N 2 2 324.428 2.294 50 0 DEAALP O=C(NCCc1c[nH]c[nH+]1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299776344 403571691 /nfs/dbraw/zinc/57/16/91/403571691.db2.gz AUYGLLCPBWSVPU-KSZLIROESA-N 2 2 324.428 2.294 50 0 DEAALP O=C(NCCc1c[nH]c[nH+]1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299776344 403571696 /nfs/dbraw/zinc/57/16/96/403571696.db2.gz AUYGLLCPBWSVPU-KSZLIROESA-N 2 2 324.428 2.294 50 0 DEAALP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCCCCO)CC[N@@H+]1C ZINC000585118077 405869669 /nfs/dbraw/zinc/86/96/69/405869669.db2.gz ANUGWYXKRPNIBP-WBVHZDCISA-N 2 2 306.450 2.410 50 0 DEAALP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCCCCO)CC[N@H+]1C ZINC000585118077 405869681 /nfs/dbraw/zinc/86/96/81/405869681.db2.gz ANUGWYXKRPNIBP-WBVHZDCISA-N 2 2 306.450 2.410 50 0 DEAALP C[C@H](c1nnnn1C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248936833 290288094 /nfs/dbraw/zinc/28/80/94/290288094.db2.gz CBXNFXDITIIMOD-HUUCEWRRSA-N 2 2 320.485 2.248 50 0 DEAALP C[C@H](c1nnnn1C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000248936833 290288097 /nfs/dbraw/zinc/28/80/97/290288097.db2.gz CBXNFXDITIIMOD-HUUCEWRRSA-N 2 2 320.485 2.248 50 0 DEAALP CC[N@H+](C)C1(CNC(=O)N(C)Cc2[nH]cc[nH+]2)CCCCC1 ZINC000534630362 334305383 /nfs/dbraw/zinc/30/53/83/334305383.db2.gz JTKJSMAINOCSAR-UHFFFAOYSA-N 2 2 307.442 2.206 50 0 DEAALP CC[N@@H+](C)C1(CNC(=O)N(C)Cc2[nH]cc[nH+]2)CCCCC1 ZINC000534630362 334305384 /nfs/dbraw/zinc/30/53/84/334305384.db2.gz JTKJSMAINOCSAR-UHFFFAOYSA-N 2 2 307.442 2.206 50 0 DEAALP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2F)CCO1 ZINC000534636203 334309317 /nfs/dbraw/zinc/30/93/17/334309317.db2.gz HKELCZMSPXRQAK-LBPRGKRZSA-N 2 2 306.303 2.394 50 0 DEAALP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2F)CCO1 ZINC000534636203 334309319 /nfs/dbraw/zinc/30/93/19/334309319.db2.gz HKELCZMSPXRQAK-LBPRGKRZSA-N 2 2 306.303 2.394 50 0 DEAALP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000241897278 534117480 /nfs/dbraw/zinc/11/74/80/534117480.db2.gz TXGHUHMIVOIEGD-SNPRPXQTSA-N 2 2 320.458 2.451 50 0 DEAALP COC(=O)c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000241897278 534117490 /nfs/dbraw/zinc/11/74/90/534117490.db2.gz TXGHUHMIVOIEGD-SNPRPXQTSA-N 2 2 320.458 2.451 50 0 DEAALP COC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000241897278 534117496 /nfs/dbraw/zinc/11/74/96/534117496.db2.gz TXGHUHMIVOIEGD-SNPRPXQTSA-N 2 2 320.458 2.451 50 0 DEAALP COC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000241897278 534117502 /nfs/dbraw/zinc/11/75/02/534117502.db2.gz TXGHUHMIVOIEGD-SNPRPXQTSA-N 2 2 320.458 2.451 50 0 DEAALP Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000020452922 683859077 /nfs/dbraw/zinc/85/90/77/683859077.db2.gz ZOOVNMPJKCCCLV-OAHLLOKOSA-N 2 2 319.449 2.185 50 0 DEAALP Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000020452922 683859080 /nfs/dbraw/zinc/85/90/80/683859080.db2.gz ZOOVNMPJKCCCLV-OAHLLOKOSA-N 2 2 319.449 2.185 50 0 DEAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]C1CC[NH+](CCSC)CC1 ZINC001506398906 1061940634 /nfs/dbraw/zinc/94/06/34/1061940634.db2.gz HPRMQKIPYMDUAX-CQSZACIVSA-N 3 2 310.511 2.251 50 0 DEAALP C[C@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000253392381 186303060 /nfs/dbraw/zinc/30/30/60/186303060.db2.gz OSVKFAIGQKMJIA-KBPBESRZSA-N 2 2 302.426 2.313 50 0 DEAALP C[C@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000253392381 186303062 /nfs/dbraw/zinc/30/30/62/186303062.db2.gz OSVKFAIGQKMJIA-KBPBESRZSA-N 2 2 302.426 2.313 50 0 DEAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1nc(-c2ccccn2)no1 ZINC000584891404 357327350 /nfs/dbraw/zinc/32/73/50/357327350.db2.gz PKZKKUFUCFCEMU-GFCCVEGCSA-N 2 2 312.377 2.069 50 0 DEAALP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCn2cccn2)C1 ZINC000195258061 201368187 /nfs/dbraw/zinc/36/81/87/201368187.db2.gz LGRXBCLWBOACCM-OAHLLOKOSA-N 2 2 319.478 2.102 50 0 DEAALP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCn2cccn2)C1 ZINC000195258061 201368189 /nfs/dbraw/zinc/36/81/89/201368189.db2.gz LGRXBCLWBOACCM-OAHLLOKOSA-N 2 2 319.478 2.102 50 0 DEAALP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000195258061 201368191 /nfs/dbraw/zinc/36/81/91/201368191.db2.gz LGRXBCLWBOACCM-OAHLLOKOSA-N 2 2 319.478 2.102 50 0 DEAALP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000195258061 201368193 /nfs/dbraw/zinc/36/81/93/201368193.db2.gz LGRXBCLWBOACCM-OAHLLOKOSA-N 2 2 319.478 2.102 50 0 DEAALP Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CN2 ZINC000058299946 184103072 /nfs/dbraw/zinc/10/30/72/184103072.db2.gz TVMDSIFGGFPVKA-MRXNPFEDSA-N 2 2 322.416 2.209 50 0 DEAALP CCc1cc(N[C@@H](c2[nH+]ccn2C)C2CC2)nc(N(C)C)[nH+]1 ZINC000065422878 184341970 /nfs/dbraw/zinc/34/19/70/184341970.db2.gz QOQJHGMGIGSYDO-CQSZACIVSA-N 2 2 300.410 2.402 50 0 DEAALP CCn1c[nH+]cc1C[NH2+]CC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000065452984 184346610 /nfs/dbraw/zinc/34/66/10/184346610.db2.gz JYISOEXPXWXDJE-AWEZNQCLSA-N 2 2 300.406 2.178 50 0 DEAALP Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)[nH+]c1 ZINC000065487567 184352383 /nfs/dbraw/zinc/35/23/83/184352383.db2.gz RFTWAQMIKGZVQI-INIZCTEOSA-N 2 2 312.417 2.023 50 0 DEAALP Cc1ccc(NC[C@@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)[nH+]c1 ZINC000065487567 184352385 /nfs/dbraw/zinc/35/23/85/184352385.db2.gz RFTWAQMIKGZVQI-INIZCTEOSA-N 2 2 312.417 2.023 50 0 DEAALP c1c(CC[NH2+]C2CCC3(CC2)OCCO3)[nH+]c2n1CCCC2 ZINC000155104436 197022462 /nfs/dbraw/zinc/02/24/62/197022462.db2.gz LMUWRDFJPRRIRS-UHFFFAOYSA-N 2 2 305.422 2.037 50 0 DEAALP Cc1cccn2cc(CC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)[nH+]c12 ZINC000069661870 184834260 /nfs/dbraw/zinc/83/42/60/184834260.db2.gz KRQDNNIGGFLGHN-INIZCTEOSA-N 2 2 323.400 2.245 50 0 DEAALP CN1CCc2c1[nH+]c1ccccc1c2NC(=O)C[NH+]1CCCC1 ZINC000000245498 401691708 /nfs/dbraw/zinc/69/17/08/401691708.db2.gz VLEXSUFTPPVMOX-UHFFFAOYSA-N 2 2 310.401 2.261 50 0 DEAALP CCC[NH+]1CCC([NH+]2CCN(c3cccc(O)c3)CC2)CC1 ZINC000019741569 401823244 /nfs/dbraw/zinc/82/32/44/401823244.db2.gz DXRHJZGRBDOVJI-UHFFFAOYSA-N 2 2 303.450 2.389 50 0 DEAALP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c(OC)c1OC ZINC000030909700 401867122 /nfs/dbraw/zinc/86/71/22/401867122.db2.gz BQXWQFDYUFXZPY-GFCCVEGCSA-N 2 2 305.378 2.087 50 0 DEAALP CC1(C)C[C@@H]([NH2+]CC[NH2+]Cc2ccc3c(c2)OCO3)CCO1 ZINC000032123838 401876563 /nfs/dbraw/zinc/87/65/63/401876563.db2.gz PIAIRWUOQZBEBC-AWEZNQCLSA-N 2 2 306.406 2.052 50 0 biogenic DEAALP C[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000048784589 402008103 /nfs/dbraw/zinc/00/81/03/402008103.db2.gz BCLCRIPSWYODFR-UHFFFAOYSA-N 2 2 301.356 2.437 50 0 DEAALP Cc1c[nH+]ccc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000096489258 402096103 /nfs/dbraw/zinc/09/61/03/402096103.db2.gz NKDDEQSHEKQKST-ZIAGYGMSSA-N 2 2 306.410 2.011 50 0 DEAALP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200621 402116215 /nfs/dbraw/zinc/11/62/15/402116215.db2.gz KTWRCNKIJSTWAS-PBHICJAKSA-N 2 2 310.401 2.042 50 0 DEAALP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200621 402116217 /nfs/dbraw/zinc/11/62/17/402116217.db2.gz KTWRCNKIJSTWAS-PBHICJAKSA-N 2 2 310.401 2.042 50 0 DEAALP Cc1nc(C)n(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000067974118 402181133 /nfs/dbraw/zinc/18/11/33/402181133.db2.gz JQKKWSAVGZFDSH-GOSISDBHSA-N 2 2 313.449 2.149 50 0 DEAALP Cc1nc(C)n(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000067974118 402181135 /nfs/dbraw/zinc/18/11/35/402181135.db2.gz JQKKWSAVGZFDSH-GOSISDBHSA-N 2 2 313.449 2.149 50 0 DEAALP c1ccc(C[NH+]2C[C@H]3CC[C@H](C[N@H+]3C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)cc1 ZINC000102342734 402165340 /nfs/dbraw/zinc/16/53/40/402165340.db2.gz BJIFKTVZYHUTTB-PXTPFGJHSA-N 3 2 311.473 2.048 50 0 DEAALP c1ccc(C[NH+]2C[C@H]3CC[C@H](C[N@@H+]3C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)cc1 ZINC000102342734 402165343 /nfs/dbraw/zinc/16/53/43/402165343.db2.gz BJIFKTVZYHUTTB-PXTPFGJHSA-N 3 2 311.473 2.048 50 0 DEAALP c1ccc(C[N@H+]2C[C@H]3CC[C@H](C[NH+]3C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)cc1 ZINC000102342734 402165344 /nfs/dbraw/zinc/16/53/44/402165344.db2.gz BJIFKTVZYHUTTB-PXTPFGJHSA-N 3 2 311.473 2.048 50 0 DEAALP c1ccc(C[N@@H+]2C[C@H]3CC[C@H](C[NH+]3C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)cc1 ZINC000102342734 402165345 /nfs/dbraw/zinc/16/53/45/402165345.db2.gz BJIFKTVZYHUTTB-PXTPFGJHSA-N 3 2 311.473 2.048 50 0 DEAALP CCc1cc(NCc2cccnc2-n2cc[nH+]c2)nc(N(C)C)[nH+]1 ZINC000067676412 402167160 /nfs/dbraw/zinc/16/71/60/402167160.db2.gz YZMXMSSTJYFSNO-UHFFFAOYSA-N 2 2 323.404 2.298 50 0 DEAALP CNC(=O)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000109004714 402266626 /nfs/dbraw/zinc/26/66/26/402266626.db2.gz GHJMTFIWKAGDTR-MRXNPFEDSA-N 2 2 324.428 2.375 50 0 DEAALP CNC(=O)c1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000109004714 402266629 /nfs/dbraw/zinc/26/66/29/402266629.db2.gz GHJMTFIWKAGDTR-MRXNPFEDSA-N 2 2 324.428 2.375 50 0 DEAALP CO[C@H]1C[N@H+](Cc2cnn(-c3ccc(C)c(C)c3)c2)CC[C@H]1[NH3+] ZINC000071422363 402274806 /nfs/dbraw/zinc/27/48/06/402274806.db2.gz QJELQLXTKNTWQI-MSOLQXFVSA-N 2 2 314.433 2.037 50 0 DEAALP CO[C@H]1C[N@@H+](Cc2cnn(-c3ccc(C)c(C)c3)c2)CC[C@H]1[NH3+] ZINC000071422363 402274812 /nfs/dbraw/zinc/27/48/12/402274812.db2.gz QJELQLXTKNTWQI-MSOLQXFVSA-N 2 2 314.433 2.037 50 0 DEAALP [NH3+][C@H]1CCCN(Cc2cccc(OCCCn3cc[nH+]c3)c2)C1 ZINC000215178712 402280811 /nfs/dbraw/zinc/28/08/11/402280811.db2.gz DEVMXVIXFZPTNY-KRWDZBQOSA-N 2 2 314.433 2.275 50 0 DEAALP COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000071825273 402283478 /nfs/dbraw/zinc/28/34/78/402283478.db2.gz ZWYDCCAAPFNBQQ-OAHLLOKOSA-N 2 2 300.406 2.269 50 0 DEAALP COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000071825273 402283479 /nfs/dbraw/zinc/28/34/79/402283479.db2.gz ZWYDCCAAPFNBQQ-OAHLLOKOSA-N 2 2 300.406 2.269 50 0 DEAALP OC1CC[NH+](Cc2cccc(OCCCn3cc[nH+]c3)c2)CC1 ZINC000222282222 402306729 /nfs/dbraw/zinc/30/67/29/402306729.db2.gz UKLCAPWXMOQODO-UHFFFAOYSA-N 2 2 315.417 2.309 50 0 DEAALP COc1cccc(C[NH+]2CCC([NH2+]Cc3c[nH]nc3C)CC2)c1 ZINC000097159451 185416840 /nfs/dbraw/zinc/41/68/40/185416840.db2.gz KBCBMRKDEBPPEV-UHFFFAOYSA-N 2 2 314.433 2.481 50 0 DEAALP Cc1cccc(OCC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1C ZINC000072141963 191049245 /nfs/dbraw/zinc/04/92/45/191049245.db2.gz WKJJDRNOVSTWMV-SFHVURJKSA-N 2 2 306.450 2.071 50 0 DEAALP Cc1cccc(OCC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1C ZINC000072141963 191049248 /nfs/dbraw/zinc/04/92/48/191049248.db2.gz WKJJDRNOVSTWMV-SFHVURJKSA-N 2 2 306.450 2.071 50 0 DEAALP CCCCN1CC[N@H+](C[C@@H]2CCC[NH+]3CCCC[C@H]23)CC1=O ZINC000072157285 191060471 /nfs/dbraw/zinc/06/04/71/191060471.db2.gz RSLYRYXYQOXJNX-DLBZAZTESA-N 2 2 307.482 2.195 50 0 DEAALP CCCCN1CC[N@@H+](C[C@@H]2CCC[NH+]3CCCC[C@H]23)CC1=O ZINC000072157285 191060474 /nfs/dbraw/zinc/06/04/74/191060474.db2.gz RSLYRYXYQOXJNX-DLBZAZTESA-N 2 2 307.482 2.195 50 0 DEAALP CCCCN1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000072157285 191060477 /nfs/dbraw/zinc/06/04/77/191060477.db2.gz RSLYRYXYQOXJNX-DLBZAZTESA-N 2 2 307.482 2.195 50 0 DEAALP CCCCN1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1=O ZINC000072157285 191060479 /nfs/dbraw/zinc/06/04/79/191060479.db2.gz RSLYRYXYQOXJNX-DLBZAZTESA-N 2 2 307.482 2.195 50 0 DEAALP COCCC[N@@H+](Cc1cncn1C(C)C)C1CC[NH+](C)CC1 ZINC000072172793 191069088 /nfs/dbraw/zinc/06/90/88/191069088.db2.gz KSSAVAWSAPQEMC-UHFFFAOYSA-N 2 2 308.470 2.397 50 0 DEAALP O=C(N[C@@H]1CCc2[nH+]ccn2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000072278563 191099659 /nfs/dbraw/zinc/09/96/59/191099659.db2.gz PUPVJNVPPIUQCS-QGZVFWFLSA-N 2 2 324.428 2.224 50 0 DEAALP Cn1cncc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000237922518 202391543 /nfs/dbraw/zinc/39/15/43/202391543.db2.gz XTSPNLWBJWRAJZ-UHFFFAOYSA-N 2 2 302.397 2.313 50 0 DEAALP c1c[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)[nH]1 ZINC000091587061 193075229 /nfs/dbraw/zinc/07/52/29/193075229.db2.gz AYHHMARKGMOLHO-MAUKXSAKSA-N 2 2 322.456 2.473 50 0 DEAALP c1c[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@H+](C2Cc4ccccc4C2)C3)[nH]1 ZINC000091587061 193075231 /nfs/dbraw/zinc/07/52/31/193075231.db2.gz AYHHMARKGMOLHO-MAUKXSAKSA-N 2 2 322.456 2.473 50 0 DEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](CC(C)(C)C)C1 ZINC000091769984 193104708 /nfs/dbraw/zinc/10/47/08/193104708.db2.gz KTVNVLSWUDMAMU-AWEZNQCLSA-N 2 2 316.453 2.285 50 0 DEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](CC(C)(C)C)C1 ZINC000091769984 193104709 /nfs/dbraw/zinc/10/47/09/193104709.db2.gz KTVNVLSWUDMAMU-AWEZNQCLSA-N 2 2 316.453 2.285 50 0 DEAALP CO[C@H]1CCC[N@H+](CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000091772553 193105134 /nfs/dbraw/zinc/10/51/34/193105134.db2.gz YXRSDWPSKPASAN-KRWDZBQOSA-N 2 2 310.482 2.380 50 0 DEAALP CO[C@H]1CCC[N@@H+](CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000091772553 193105136 /nfs/dbraw/zinc/10/51/36/193105136.db2.gz YXRSDWPSKPASAN-KRWDZBQOSA-N 2 2 310.482 2.380 50 0 DEAALP CCc1[nH]c(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c(C)[nH+]1 ZINC000039442008 183018723 /nfs/dbraw/zinc/01/87/23/183018723.db2.gz ZXJNJYPZFYZBGM-MRXNPFEDSA-N 2 2 320.481 2.092 50 0 DEAALP CCc1[nH]c(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c(C)[nH+]1 ZINC000039442008 183018727 /nfs/dbraw/zinc/01/87/27/183018727.db2.gz ZXJNJYPZFYZBGM-MRXNPFEDSA-N 2 2 320.481 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CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CC)c1 ZINC000019365419 182118746 /nfs/dbraw/zinc/11/87/46/182118746.db2.gz QVEYJYLYMHELRN-DLBZAZTESA-N 2 2 306.450 2.063 50 0 DEAALP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000019365419 182118748 /nfs/dbraw/zinc/11/87/48/182118748.db2.gz QVEYJYLYMHELRN-DLBZAZTESA-N 2 2 306.450 2.063 50 0 DEAALP CCOc1ccc(C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000019868493 182157802 /nfs/dbraw/zinc/15/78/02/182157802.db2.gz MKJNULRXIIQGGE-UHFFFAOYSA-N 2 2 304.434 2.382 50 0 DEAALP Cc1ccc([C@H](C[NH2+]C[C@H]2CNc3ccnn3C2)[NH+](C)C)cc1 ZINC000058304918 184103051 /nfs/dbraw/zinc/10/30/51/184103051.db2.gz REPRLXGMSDSSGS-RDJZCZTQSA-N 2 2 313.449 2.126 50 0 DEAALP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3cccc[nH+]3)c2)C1 ZINC000078714224 401863137 /nfs/dbraw/zinc/86/31/37/401863137.db2.gz HBKHEEPGOPDHEE-KRWDZBQOSA-N 2 2 324.428 2.391 50 0 DEAALP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3cccc[nH+]3)c2)C1 ZINC000078714224 401863139 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/nfs/dbraw/zinc/57/15/31/403571531.db2.gz PDYBRCIXOOWJAT-BBWFWOEESA-N 2 2 324.428 2.294 50 0 DEAALP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000247962024 225235137 /nfs/dbraw/zinc/23/51/37/225235137.db2.gz GJJPFLFIMSHLBP-JQHSSLGASA-N 2 2 315.461 2.280 50 0 DEAALP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000247962024 225235142 /nfs/dbraw/zinc/23/51/42/225235142.db2.gz GJJPFLFIMSHLBP-JQHSSLGASA-N 2 2 315.461 2.280 50 0 DEAALP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000247962024 225235146 /nfs/dbraw/zinc/23/51/46/225235146.db2.gz GJJPFLFIMSHLBP-JQHSSLGASA-N 2 2 315.461 2.280 50 0 DEAALP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000247962024 225235150 /nfs/dbraw/zinc/23/51/50/225235150.db2.gz GJJPFLFIMSHLBP-JQHSSLGASA-N 2 2 315.461 2.280 50 0 DEAALP C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H]1C[NH3+] ZINC000237433925 274289365 /nfs/dbraw/zinc/28/93/65/274289365.db2.gz BNUQVIBGXIHXIS-PBHICJAKSA-N 2 2 312.417 2.131 50 0 DEAALP O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000192061854 275025078 /nfs/dbraw/zinc/02/50/78/275025078.db2.gz QWVGBMUJGSGTGF-KRWDZBQOSA-N 2 2 310.401 2.474 50 0 DEAALP Cc1cc(C)c2[nH]c(C[N@@H+]3CCO[C@H](CC[NH3+])C3)cc(=O)c2c1 ZINC000253536103 563784323 /nfs/dbraw/zinc/78/43/23/563784323.db2.gz ABLWKLCMPUJKMT-OAHLLOKOSA-N 2 2 315.417 2.107 50 0 DEAALP Cc1cc(C)c2[nH]c(C[N@H+]3CCO[C@H](CC[NH3+])C3)cc(=O)c2c1 ZINC000253536103 563784325 /nfs/dbraw/zinc/78/43/25/563784325.db2.gz ABLWKLCMPUJKMT-OAHLLOKOSA-N 2 2 315.417 2.107 50 0 DEAALP COc1ccc(COCC[N@@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000864096482 686619351 /nfs/dbraw/zinc/61/93/51/686619351.db2.gz ANZDEXFFCYZVTE-UHFFFAOYSA-N 2 2 313.401 2.247 50 0 DEAALP COc1ccc(COCC[N@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000864096482 686619353 /nfs/dbraw/zinc/61/93/53/686619353.db2.gz ANZDEXFFCYZVTE-UHFFFAOYSA-N 2 2 313.401 2.247 50 0 DEAALP Cn1cc[nH+]c1CC[NH+]1CCC(OCc2cccnc2)CC1 ZINC001506431493 1061978736 /nfs/dbraw/zinc/97/87/36/1061978736.db2.gz MJOVMATWLSJWLI-UHFFFAOYSA-N 2 2 300.406 2.039 50 0 DEAALP Cc1cc(N2CC[NH+](CC3(O)CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000078970903 185137448 /nfs/dbraw/zinc/13/74/48/185137448.db2.gz HVSFMOHZHWMRDH-UHFFFAOYSA-N 2 2 318.465 2.336 50 0 DEAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccs2)nc[nH+]1 ZINC000072254082 191089101 /nfs/dbraw/zinc/08/91/01/191089101.db2.gz LAEBYSWIALJBKZ-GFCCVEGCSA-N 2 2 303.435 2.338 50 0 DEAALP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000072255110 354899211 /nfs/dbraw/zinc/89/92/11/354899211.db2.gz KREBRVUSFIZFIY-WBVHZDCISA-N 2 2 312.417 2.007 50 0 DEAALP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000072255110 354899217 /nfs/dbraw/zinc/89/92/17/354899217.db2.gz KREBRVUSFIZFIY-WBVHZDCISA-N 2 2 312.417 2.007 50 0 DEAALP CCC[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000091988127 193137321 /nfs/dbraw/zinc/13/73/21/193137321.db2.gz KBXCXEQMPLZLOB-UHFFFAOYSA-N 2 2 314.437 2.447 50 0 DEAALP O=C(NC1CC1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000058357109 184108062 /nfs/dbraw/zinc/10/80/62/184108062.db2.gz XFVVLWQIUGXOAZ-UHFFFAOYSA-N 2 2 324.428 2.363 50 0 DEAALP O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000065288878 184323235 /nfs/dbraw/zinc/32/32/35/184323235.db2.gz ULRGEUZCODLILD-INIZCTEOSA-N 2 2 304.438 2.140 50 0 DEAALP O[C@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)C[NH+]1CCCCC1 ZINC000097197315 402114655 /nfs/dbraw/zinc/11/46/55/402114655.db2.gz GNIKLNCRNCBRKC-CQSZACIVSA-N 2 2 320.462 2.075 50 0 DEAALP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000229957716 402346070 /nfs/dbraw/zinc/34/60/70/402346070.db2.gz GJJPFLFIMSHLBP-RYQLBKOJSA-N 2 2 315.461 2.280 50 0 DEAALP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000229957716 402346072 /nfs/dbraw/zinc/34/60/72/402346072.db2.gz GJJPFLFIMSHLBP-RYQLBKOJSA-N 2 2 315.461 2.280 50 0 DEAALP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000229957716 402346075 /nfs/dbraw/zinc/34/60/75/402346075.db2.gz GJJPFLFIMSHLBP-RYQLBKOJSA-N 2 2 315.461 2.280 50 0 DEAALP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000229957716 402346076 /nfs/dbraw/zinc/34/60/76/402346076.db2.gz GJJPFLFIMSHLBP-RYQLBKOJSA-N 2 2 315.461 2.280 50 0 DEAALP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(C)s2)C[C@H]1C ZINC000247988255 402580190 /nfs/dbraw/zinc/58/01/90/402580190.db2.gz ZSJRLANZGISHGH-HIFRSBDPSA-N 2 2 323.506 2.477 50 0 DEAALP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(C)s2)C[C@H]1C ZINC000247988255 402580194 /nfs/dbraw/zinc/58/01/94/402580194.db2.gz ZSJRLANZGISHGH-HIFRSBDPSA-N 2 2 323.506 2.477 50 0 DEAALP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(C)s2)C[C@H]1C ZINC000247988255 402580195 /nfs/dbraw/zinc/58/01/95/402580195.db2.gz ZSJRLANZGISHGH-HIFRSBDPSA-N 2 2 323.506 2.477 50 0 DEAALP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(C)s2)C[C@H]1C ZINC000247988255 402580197 /nfs/dbraw/zinc/58/01/97/402580197.db2.gz ZSJRLANZGISHGH-HIFRSBDPSA-N 2 2 323.506 2.477 50 0 DEAALP Cc1cc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC000252517567 402657830 /nfs/dbraw/zinc/65/78/30/402657830.db2.gz LRDNEJJHFMTDLP-ROUUACIJSA-N 2 2 324.428 2.183 50 0 DEAALP Cc1cc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC000252517567 402657831 /nfs/dbraw/zinc/65/78/31/402657831.db2.gz LRDNEJJHFMTDLP-ROUUACIJSA-N 2 2 324.428 2.183 50 0 DEAALP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccco1 ZINC000253427161 402665955 /nfs/dbraw/zinc/66/59/55/402665955.db2.gz IBDQWRJHSAYATN-GOSISDBHSA-N 2 2 315.417 2.136 50 0 DEAALP CCN(CC[NH+](C)C)C(=O)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000299785629 403574517 /nfs/dbraw/zinc/57/45/17/403574517.db2.gz KYCBDIPQPDZYOR-UHFFFAOYSA-N 2 2 301.394 2.492 50 0 DEAALP Cc1cn2ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc2[nH+]1 ZINC000585121198 405871495 /nfs/dbraw/zinc/87/14/95/405871495.db2.gz IJUZGJQWBQIWTI-UHFFFAOYSA-N 2 2 302.422 2.493 50 0 DEAALP Cc1cccc(N2CC[N@H+](CCOC[C@H]3CCCO3)[C@@H](C)C2)[nH+]1 ZINC000248122273 225236658 /nfs/dbraw/zinc/23/66/58/225236658.db2.gz VSIAKRANLXHSTH-DLBZAZTESA-N 2 2 319.449 2.096 50 0 DEAALP Cc1cccc(N2CC[N@@H+](CCOC[C@H]3CCCO3)[C@@H](C)C2)[nH+]1 ZINC000248122273 225236662 /nfs/dbraw/zinc/23/66/62/225236662.db2.gz VSIAKRANLXHSTH-DLBZAZTESA-N 2 2 319.449 2.096 50 0 DEAALP Cc1ccccc1[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH+](C)C ZINC000534582476 334289863 /nfs/dbraw/zinc/28/98/63/334289863.db2.gz SUGBSMJJLMNXRG-MRXNPFEDSA-N 2 2 300.406 2.001 50 0 DEAALP CC(C)[NH2+]Cc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000014950969 683849343 /nfs/dbraw/zinc/84/93/43/683849343.db2.gz QMTZWPAHRFSKQC-UHFFFAOYSA-N 2 2 311.433 2.301 50 0 DEAALP Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000020452924 683859113 /nfs/dbraw/zinc/85/91/13/683859113.db2.gz ZOOVNMPJKCCCLV-HNNXBMFYSA-N 2 2 319.449 2.185 50 0 DEAALP Cc1cc(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000020452924 683859116 /nfs/dbraw/zinc/85/91/16/683859116.db2.gz ZOOVNMPJKCCCLV-HNNXBMFYSA-N 2 2 319.449 2.185 50 0 DEAALP Cc1c[nH+]c(CCNC(=O)C[NH+]2CCCCCC2)n1C1CCC1 ZINC000581815290 784787085 /nfs/dbraw/zinc/78/70/85/784787085.db2.gz CREHZFBOVCURDJ-UHFFFAOYSA-N 2 2 318.465 2.451 50 0 DEAALP COc1cc(N[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(N)[nH+]1 ZINC001529167943 1070897105 /nfs/dbraw/zinc/89/71/05/1070897105.db2.gz RXWJGZSWFRRMCD-LLVKDONJSA-N 2 2 319.434 2.205 50 0 DEAALP COc1cc(N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc(N)[nH+]1 ZINC001529167943 1070897122 /nfs/dbraw/zinc/89/71/22/1070897122.db2.gz RXWJGZSWFRRMCD-LLVKDONJSA-N 2 2 319.434 2.205 50 0 DEAALP C[N@@H+]1CCN2CC[NH+](Cc3ccc(-c4ccco4)cc3)C[C@H]2C1 ZINC000244719096 529778909 /nfs/dbraw/zinc/77/89/09/529778909.db2.gz LWULAKYDYVLTSW-GOSISDBHSA-N 2 2 311.429 2.378 50 0 DEAALP C[N@H+]1CCN2CC[NH+](Cc3ccc(-c4ccco4)cc3)C[C@H]2C1 ZINC000244719096 529778911 /nfs/dbraw/zinc/77/89/11/529778911.db2.gz LWULAKYDYVLTSW-GOSISDBHSA-N 2 2 311.429 2.378 50 0 DEAALP C[NH+]1CCN2CC[N@H+](Cc3ccc(-c4ccco4)cc3)C[C@H]2C1 ZINC000244719096 529778912 /nfs/dbraw/zinc/77/89/12/529778912.db2.gz LWULAKYDYVLTSW-GOSISDBHSA-N 2 2 311.429 2.378 50 0 DEAALP C[NH+]1CCN2CC[N@@H+](Cc3ccc(-c4ccco4)cc3)C[C@H]2C1 ZINC000244719096 529778914 /nfs/dbraw/zinc/77/89/14/529778914.db2.gz LWULAKYDYVLTSW-GOSISDBHSA-N 2 2 311.429 2.378 50 0 DEAALP Cc1[nH+]ccn1C[C@@H]1CCCN1c1nc(N)c2ccccc2[nH+]1 ZINC000225597986 186281675 /nfs/dbraw/zinc/28/16/75/186281675.db2.gz FKOCOOYEVZVRLS-ZDUSSCGKSA-N 2 2 308.389 2.386 50 0 DEAALP Cc1cccc(-n2ncc3c2nc[nH+]c3NCCC[NH+](C)C)c1 ZINC000003912261 181057265 /nfs/dbraw/zinc/05/72/65/181057265.db2.gz ALEWWGUNJYGOKM-UHFFFAOYSA-N 2 2 310.405 2.488 50 0 DEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000192186365 356220176 /nfs/dbraw/zinc/22/01/76/356220176.db2.gz KYMGIPGVMZLNHN-GOSISDBHSA-N 2 2 312.417 2.411 50 0 DEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000192186365 356220181 /nfs/dbraw/zinc/22/01/81/356220181.db2.gz KYMGIPGVMZLNHN-GOSISDBHSA-N 2 2 312.417 2.411 50 0 DEAALP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000185404260 356206835 /nfs/dbraw/zinc/20/68/35/356206835.db2.gz MKWYNDLQRWKLLS-HZPDHXFCSA-N 2 2 324.490 2.089 50 0 DEAALP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000185404260 356206837 /nfs/dbraw/zinc/20/68/37/356206837.db2.gz MKWYNDLQRWKLLS-HZPDHXFCSA-N 2 2 324.490 2.089 50 0 DEAALP Cc1nc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)n(C)c1C ZINC000670457173 540936128 /nfs/dbraw/zinc/93/61/28/540936128.db2.gz WDLMNIVXUFQOPL-INIZCTEOSA-N 2 2 301.438 2.454 50 0 DEAALP Cc1nc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)n(C)c1C ZINC000670457173 540936131 /nfs/dbraw/zinc/93/61/31/540936131.db2.gz WDLMNIVXUFQOPL-INIZCTEOSA-N 2 2 301.438 2.454 50 0 DEAALP CCN(CC)c1cc(CCC(=O)N2CC[NH+](CC)CC2)cc[nH+]1 ZINC000065269998 184320287 /nfs/dbraw/zinc/32/02/87/184320287.db2.gz JIZMLBVBZYJJOY-UHFFFAOYSA-N 2 2 318.465 2.025 50 0 DEAALP COc1cc(C[N@@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)ccc1F ZINC000077470438 401816469 /nfs/dbraw/zinc/81/64/69/401816469.db2.gz WPNVGUOMWHEWDN-GOSISDBHSA-N 2 2 322.424 2.257 50 0 DEAALP COc1cc(C[N@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)ccc1F ZINC000077470438 401816471 /nfs/dbraw/zinc/81/64/71/401816471.db2.gz WPNVGUOMWHEWDN-GOSISDBHSA-N 2 2 322.424 2.257 50 0 DEAALP C[NH+](Cc1ccco1)CC1(C[N@H+](C)Cc2ccco2)COC1 ZINC000083865638 401901508 /nfs/dbraw/zinc/90/15/08/401901508.db2.gz JIBQTJORPJWHKJ-UHFFFAOYSA-N 2 2 304.390 2.453 50 0 DEAALP C[NH+](Cc1ccco1)CC1(C[N@@H+](C)Cc2ccco2)COC1 ZINC000083865638 401901510 /nfs/dbraw/zinc/90/15/10/401901510.db2.gz JIBQTJORPJWHKJ-UHFFFAOYSA-N 2 2 304.390 2.453 50 0 DEAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc(C)s2)nc[nH+]1 ZINC000084290639 401904603 /nfs/dbraw/zinc/90/46/03/401904603.db2.gz QROFWRQFKJGIMZ-LBPRGKRZSA-N 2 2 318.450 2.042 50 0 DEAALP CN(C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000089661715 401956358 /nfs/dbraw/zinc/95/63/58/401956358.db2.gz HLYWCOARAWPEOX-OAHLLOKOSA-N 2 2 322.453 2.462 50 0 DEAALP CN(C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000089661715 401956359 /nfs/dbraw/zinc/95/63/59/401956359.db2.gz HLYWCOARAWPEOX-OAHLLOKOSA-N 2 2 322.453 2.462 50 0 DEAALP O=C(NCCc1c[nH+]c[nH]1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095383564 402031244 /nfs/dbraw/zinc/03/12/44/402031244.db2.gz RSBSGPCRSVOTGD-UHFFFAOYSA-N 2 2 304.438 2.113 50 0 DEAALP O=C(NCCc1c[nH]c[nH+]1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095383564 402031246 /nfs/dbraw/zinc/03/12/46/402031246.db2.gz RSBSGPCRSVOTGD-UHFFFAOYSA-N 2 2 304.438 2.113 50 0 DEAALP Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000096420818 402082544 /nfs/dbraw/zinc/08/25/44/402082544.db2.gz JWUVXCORGAMATJ-KRWDZBQOSA-N 2 2 311.385 2.230 50 0 DEAALP Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000096420818 402082546 /nfs/dbraw/zinc/08/25/46/402082546.db2.gz JWUVXCORGAMATJ-KRWDZBQOSA-N 2 2 311.385 2.230 50 0 DEAALP CCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000069652275 402236675 /nfs/dbraw/zinc/23/66/75/402236675.db2.gz BCUBDJJORIZVKR-OAHLLOKOSA-N 2 2 322.416 2.131 50 0 DEAALP COc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000071825266 402283452 /nfs/dbraw/zinc/28/34/52/402283452.db2.gz JJYNMECYIZQSAY-HNNXBMFYSA-N 2 2 300.406 2.269 50 0 DEAALP COc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000071825266 402283453 /nfs/dbraw/zinc/28/34/53/402283453.db2.gz JJYNMECYIZQSAY-HNNXBMFYSA-N 2 2 300.406 2.269 50 0 DEAALP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000071828227 402284458 /nfs/dbraw/zinc/28/44/58/402284458.db2.gz LFAUCQJXQJTMCZ-HNNXBMFYSA-N 2 2 300.406 2.269 50 0 DEAALP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000071828227 402284463 /nfs/dbraw/zinc/28/44/63/402284463.db2.gz LFAUCQJXQJTMCZ-HNNXBMFYSA-N 2 2 300.406 2.269 50 0 DEAALP C[C@@H](C[NH+]1CCN(Cc2[nH+]ccn2C)CC1)c1ccc(F)cc1 ZINC000170603011 402506467 /nfs/dbraw/zinc/50/64/67/402506467.db2.gz VAGORBQNOMYVMK-HNNXBMFYSA-N 2 2 316.424 2.481 50 0 DEAALP CO[C@]12CC[N@H+](CCc3[nH]cc[nH+]3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299801580 403579446 /nfs/dbraw/zinc/57/94/46/403579446.db2.gz YYGKATAVKUMZCJ-SOLBZPMBSA-N 2 2 319.449 2.391 50 0 DEAALP CO[C@]12CC[N@@H+](CCc3[nH]cc[nH+]3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299801580 403579449 /nfs/dbraw/zinc/57/94/49/403579449.db2.gz YYGKATAVKUMZCJ-SOLBZPMBSA-N 2 2 319.449 2.391 50 0 DEAALP CCCN(Cc1[nH+]ccn1C)C(=O)CC[C@H](C)[NH+]1CCCC1 ZINC000426544987 405368429 /nfs/dbraw/zinc/36/84/29/405368429.db2.gz IYVCEKSSNIMKDC-HNNXBMFYSA-N 2 2 306.454 2.423 50 0 DEAALP Cc1cccc(CNC(=O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000408522963 534713213 /nfs/dbraw/zinc/71/32/13/534713213.db2.gz FOKNYRZEXLGAAW-IBGZPJMESA-N 2 2 315.461 2.029 50 0 DEAALP Cc1cccc(CNC(=O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000408522963 534713217 /nfs/dbraw/zinc/71/32/17/534713217.db2.gz FOKNYRZEXLGAAW-IBGZPJMESA-N 2 2 315.461 2.029 50 0 DEAALP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000408522963 534713222 /nfs/dbraw/zinc/71/32/22/534713222.db2.gz FOKNYRZEXLGAAW-IBGZPJMESA-N 2 2 315.461 2.029 50 0 DEAALP Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000408522963 534713227 /nfs/dbraw/zinc/71/32/27/534713227.db2.gz FOKNYRZEXLGAAW-IBGZPJMESA-N 2 2 315.461 2.029 50 0 DEAALP CC(C)C[N@H+](C1CN(C(=O)c2ccoc2)C1)C1CC[NH+](C)CC1 ZINC000581799737 784778834 /nfs/dbraw/zinc/77/88/34/784778834.db2.gz QJVDAIZTLWGWAH-UHFFFAOYSA-N 2 2 319.449 2.156 50 0 DEAALP CC(C)C[N@@H+](C1CN(C(=O)c2ccoc2)C1)C1CC[NH+](C)CC1 ZINC000581799737 784778841 /nfs/dbraw/zinc/77/88/41/784778841.db2.gz QJVDAIZTLWGWAH-UHFFFAOYSA-N 2 2 319.449 2.156 50 0 DEAALP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cnccc3Cl)C2)CC1 ZINC000952865037 792799582 /nfs/dbraw/zinc/79/95/82/792799582.db2.gz NTUKUWLGZWOUBR-HNNXBMFYSA-N 2 2 322.884 2.194 50 0 DEAALP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cnccc3Cl)C2)CC1 ZINC000952865037 792799586 /nfs/dbraw/zinc/79/95/86/792799586.db2.gz NTUKUWLGZWOUBR-HNNXBMFYSA-N 2 2 322.884 2.194 50 0 DEAALP Cn1ccc2cc(C[N@@H+]3CCOC[C@H](C[NH+](C)C)C3)ccc21 ZINC000823689943 1090695598 /nfs/dbraw/zinc/69/55/98/1090695598.db2.gz HJLMQBWTNCTZFJ-MRXNPFEDSA-N 2 2 301.434 2.188 50 0 DEAALP Cn1ccc2cc(C[N@H+]3CCOC[C@H](C[NH+](C)C)C3)ccc21 ZINC000823689943 1090695600 /nfs/dbraw/zinc/69/56/00/1090695600.db2.gz HJLMQBWTNCTZFJ-MRXNPFEDSA-N 2 2 301.434 2.188 50 0 DEAALP CSc1cccc(C[N@H+](C)Cc2cc3n(n2)CC[NH2+]C3)c1 ZINC000072139029 191047896 /nfs/dbraw/zinc/04/78/96/191047896.db2.gz QHVUATFNKYOVCP-UHFFFAOYSA-N 2 2 302.447 2.340 50 0 DEAALP CSc1cccc(C[N@@H+](C)Cc2cc3n(n2)CC[NH2+]C3)c1 ZINC000072139029 191047899 /nfs/dbraw/zinc/04/78/99/191047899.db2.gz QHVUATFNKYOVCP-UHFFFAOYSA-N 2 2 302.447 2.340 50 0 DEAALP CCOc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1OCC ZINC000005019220 181191909 /nfs/dbraw/zinc/19/19/09/181191909.db2.gz YYZGSAQYFXBMDF-UHFFFAOYSA-N 2 2 322.449 2.296 50 0 DEAALP Cc1ccc(NC[C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)[nH+]c1 ZINC000097200794 355702366 /nfs/dbraw/zinc/70/23/66/355702366.db2.gz YAVDDWUDVQZRIE-QAPCUYQASA-N 2 2 324.428 2.350 50 0 DEAALP Cc1ccc(NC[C@H]2CC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)[nH+]c1 ZINC000097200794 355702367 /nfs/dbraw/zinc/70/23/67/355702367.db2.gz YAVDDWUDVQZRIE-QAPCUYQASA-N 2 2 324.428 2.350 50 0 DEAALP CCn1c2ccccc2c2cc(C[NH2+]CC[NH2+]CCO)ccc21 ZINC000019872284 182159309 /nfs/dbraw/zinc/15/93/09/182159309.db2.gz NKMGIBZOAOEJGC-UHFFFAOYSA-N 2 2 311.429 2.486 50 0 DEAALP CC[C@H](c1cccnc1)[N@H+](C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000023159312 182352026 /nfs/dbraw/zinc/35/20/26/182352026.db2.gz CUXJBKVILKOFGB-QGZVFWFLSA-N 2 2 314.437 2.181 50 0 DEAALP CC[C@H](c1cccnc1)[N@@H+](C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000023159312 182352028 /nfs/dbraw/zinc/35/20/28/182352028.db2.gz CUXJBKVILKOFGB-QGZVFWFLSA-N 2 2 314.437 2.181 50 0 DEAALP C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000058331277 184106587 /nfs/dbraw/zinc/10/65/87/184106587.db2.gz XELONFLGZYXIHL-LSDHHAIUSA-N 2 2 322.416 2.461 50 0 DEAALP CC(C)[NH+]1CCN(C(=O)c2cc3c(s2)C[N@@H+](C2CC2)C3)CC1 ZINC000065239051 184317014 /nfs/dbraw/zinc/31/70/14/184317014.db2.gz SMEZYQGEWGAEDX-UHFFFAOYSA-N 2 2 319.474 2.392 50 0 DEAALP CC(C)[NH+]1CCN(C(=O)c2cc3c(s2)C[N@H+](C2CC2)C3)CC1 ZINC000065239051 184317016 /nfs/dbraw/zinc/31/70/16/184317016.db2.gz SMEZYQGEWGAEDX-UHFFFAOYSA-N 2 2 319.474 2.392 50 0 DEAALP CCc1cc(N[C@H](c2[nH+]ccn2C)C2CC2)nc(N(C)C)[nH+]1 ZINC000065422883 184341713 /nfs/dbraw/zinc/34/17/13/184341713.db2.gz QOQJHGMGIGSYDO-AWEZNQCLSA-N 2 2 300.410 2.402 50 0 DEAALP CCCc1ccc(C[NH+]2CCN([C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000216510071 257273307 /nfs/dbraw/zinc/27/33/07/257273307.db2.gz DXPCPCOMSDBMGR-IBGZPJMESA-N 2 2 317.477 2.444 50 0 DEAALP COc1ccc(OC)c(NC2=[NH+]C3(CCCCC3)NC(=[NH2+])N2)c1 ZINC000002814354 401718944 /nfs/dbraw/zinc/71/89/44/401718944.db2.gz SNRTYKYWDXOOJU-UHFFFAOYSA-N 2 2 317.393 2.050 50 0 DEAALP CC(C)(C)NC(=O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000089643078 401955948 /nfs/dbraw/zinc/95/59/48/401955948.db2.gz SNIQQFDKUZKDND-UHFFFAOYSA-N 2 2 317.477 2.198 50 0 DEAALP Cc1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000051951803 402038174 /nfs/dbraw/zinc/03/81/74/402038174.db2.gz LEVRPIAGUNUHHO-GOSISDBHSA-N 2 2 318.461 2.295 50 0 DEAALP CC(C)N(Cc1[nH+]ccn1C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000097346732 402122125 /nfs/dbraw/zinc/12/21/25/402122125.db2.gz ROCGWHYKYIEKBT-UHFFFAOYSA-N 2 2 301.394 2.321 50 0 DEAALP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)[nH+]1 ZINC000097200910 402116263 /nfs/dbraw/zinc/11/62/63/402116263.db2.gz CLQNDHVYZSGOKI-QAPCUYQASA-N 2 2 324.428 2.350 50 0 DEAALP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)[nH+]1 ZINC000097200910 402116265 /nfs/dbraw/zinc/11/62/65/402116265.db2.gz CLQNDHVYZSGOKI-QAPCUYQASA-N 2 2 324.428 2.350 50 0 DEAALP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H]([NH3+])CC)CC1 ZINC000152947599 402118228 /nfs/dbraw/zinc/11/82/28/402118228.db2.gz QABIKBMBFCSBLX-CQSZACIVSA-N 2 2 314.433 2.500 50 0 DEAALP O=C(CCCn1cc[nH+]c1)NCC1([NH+]2CCCC2)CCCC1 ZINC000243892369 402446334 /nfs/dbraw/zinc/44/63/34/402446334.db2.gz AGYWBLNMSYCLHG-UHFFFAOYSA-N 2 2 304.438 2.188 50 0 DEAALP Nc1nc(NCc2ccc3ccccc3n2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000252538472 402658668 /nfs/dbraw/zinc/65/86/68/402658668.db2.gz NBSGNTDDAVOVAM-BETUJISGSA-N 2 2 320.400 2.424 50 0 DEAALP CC(C)(C)CN1CCC[C@@H]([N@@H+]2CC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000583651531 405779988 /nfs/dbraw/zinc/77/99/88/405779988.db2.gz OKPMZVDIMNESRT-UONOGXRCSA-N 2 2 304.438 2.236 50 0 DEAALP CC(C)(C)CN1CCC[C@@H]([N@H+]2CC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000583651531 405779998 /nfs/dbraw/zinc/77/99/98/405779998.db2.gz OKPMZVDIMNESRT-UONOGXRCSA-N 2 2 304.438 2.236 50 0 DEAALP CC1(C)NC(=O)CC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000338779068 278405796 /nfs/dbraw/zinc/40/57/96/278405796.db2.gz MWBGZBNRUIGFDY-GFCCVEGCSA-N 2 2 321.387 2.050 50 0 DEAALP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)nc(N)[nH+]1 ZINC000082109471 192358355 /nfs/dbraw/zinc/35/83/55/192358355.db2.gz DLTKUCCBHOMVAV-CQSZACIVSA-N 2 2 312.421 2.358 50 0 DEAALP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)Nc1cc(C)on1 ZINC000084718745 539397922 /nfs/dbraw/zinc/39/79/22/539397922.db2.gz ROVCGQJFOOAQSK-QWHCGFSZSA-N 2 2 317.393 2.064 50 0 DEAALP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523633 283101470 /nfs/dbraw/zinc/10/14/70/283101470.db2.gz LXPCWYRUDZWTGZ-IEBWSBKVSA-N 2 2 313.445 2.210 50 0 DEAALP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523633 283101473 /nfs/dbraw/zinc/10/14/73/283101473.db2.gz LXPCWYRUDZWTGZ-IEBWSBKVSA-N 2 2 313.445 2.210 50 0 DEAALP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523633 283101479 /nfs/dbraw/zinc/10/14/79/283101479.db2.gz LXPCWYRUDZWTGZ-IEBWSBKVSA-N 2 2 313.445 2.210 50 0 DEAALP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523633 283101481 /nfs/dbraw/zinc/10/14/81/283101481.db2.gz LXPCWYRUDZWTGZ-IEBWSBKVSA-N 2 2 313.445 2.210 50 0 DEAALP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000237436193 202264925 /nfs/dbraw/zinc/26/49/25/202264925.db2.gz GLAHAMKSUKIXJA-ZFWWWQNUSA-N 2 2 304.434 2.461 50 0 DEAALP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000237436193 202264929 /nfs/dbraw/zinc/26/49/29/202264929.db2.gz GLAHAMKSUKIXJA-ZFWWWQNUSA-N 2 2 304.434 2.461 50 0 DEAALP CCOC(=O)c1c[nH+]c2ccccc2c1NCCC[NH+](C)C ZINC000005958591 181300494 /nfs/dbraw/zinc/30/04/94/181300494.db2.gz ITZRBOCLNMKQQP-UHFFFAOYSA-N 2 2 301.390 2.197 50 0 DEAALP COc1ccnc(C[N@H+](C)C[C@H]2CC[NH+](C)C2(C)C)c1OC ZINC000670453143 540935619 /nfs/dbraw/zinc/93/56/19/540935619.db2.gz XMUWEUUPWSNKGS-CYBMUJFWSA-N 2 2 307.438 2.261 50 0 DEAALP COc1ccnc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2(C)C)c1OC ZINC000670453143 540935622 /nfs/dbraw/zinc/93/56/22/540935622.db2.gz XMUWEUUPWSNKGS-CYBMUJFWSA-N 2 2 307.438 2.261 50 0 DEAALP COc1ccnc(C[NH+](C)C[C@H]2CC[N@H+](C)C2(C)C)c1OC ZINC000670453143 540935624 /nfs/dbraw/zinc/93/56/24/540935624.db2.gz XMUWEUUPWSNKGS-CYBMUJFWSA-N 2 2 307.438 2.261 50 0 DEAALP COc1ccnc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2(C)C)c1OC ZINC000670453143 540935626 /nfs/dbraw/zinc/93/56/26/540935626.db2.gz XMUWEUUPWSNKGS-CYBMUJFWSA-N 2 2 307.438 2.261 50 0 DEAALP COc1cc[nH+]c(CN(C)C[C@H]2CC[N@H+](C)C2(C)C)c1OC ZINC000670453143 540935628 /nfs/dbraw/zinc/93/56/28/540935628.db2.gz XMUWEUUPWSNKGS-CYBMUJFWSA-N 2 2 307.438 2.261 50 0 DEAALP COc1cc[nH+]c(CN(C)C[C@H]2CC[N@@H+](C)C2(C)C)c1OC ZINC000670453143 540935631 /nfs/dbraw/zinc/93/56/31/540935631.db2.gz XMUWEUUPWSNKGS-CYBMUJFWSA-N 2 2 307.438 2.261 50 0 DEAALP CCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000091820284 193112087 /nfs/dbraw/zinc/11/20/87/193112087.db2.gz VWTRFCLAMFNEIH-HZPDHXFCSA-N 2 2 306.450 2.368 50 0 DEAALP CCc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000091820284 193112089 /nfs/dbraw/zinc/11/20/89/193112089.db2.gz VWTRFCLAMFNEIH-HZPDHXFCSA-N 2 2 306.450 2.368 50 0 DEAALP NC(=O)C1([NH2+]Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000044127121 183395689 /nfs/dbraw/zinc/39/56/89/183395689.db2.gz BAQWWBUBJYZLMV-UHFFFAOYSA-N 2 2 323.440 2.296 50 0 DEAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC000106135167 194186559 /nfs/dbraw/zinc/18/65/59/194186559.db2.gz IRGAOAOQQCTCGN-VYDXJSESSA-N 2 2 312.417 2.396 50 0 DEAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC000106135167 194186563 /nfs/dbraw/zinc/18/65/63/194186563.db2.gz IRGAOAOQQCTCGN-VYDXJSESSA-N 2 2 312.417 2.396 50 0 DEAALP CCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095380262 257271956 /nfs/dbraw/zinc/27/19/56/257271956.db2.gz CLEVNKGBENOZDP-OAHLLOKOSA-N 2 2 321.469 2.134 50 0 DEAALP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595010 401953559 /nfs/dbraw/zinc/95/35/59/401953559.db2.gz VCASDZHAFUFHEY-SQNIBIBYSA-N 3 2 323.525 2.340 50 0 DEAALP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595010 401953560 /nfs/dbraw/zinc/95/35/60/401953560.db2.gz VCASDZHAFUFHEY-SQNIBIBYSA-N 3 2 323.525 2.340 50 0 DEAALP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000095996132 402044965 /nfs/dbraw/zinc/04/49/65/402044965.db2.gz SGIVMFYVSYMEOQ-BBRMVZONSA-N 2 2 307.413 2.014 50 0 DEAALP Clc1c[nH+]ccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000096454001 402090840 /nfs/dbraw/zinc/09/08/40/402090840.db2.gz WKLXDZSWUIXDBY-CQSZACIVSA-N 2 2 313.854 2.355 50 0 DEAALP CCc1nncn1CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000096461855 402092548 /nfs/dbraw/zinc/09/25/48/402092548.db2.gz BYUQWMRPEKPOQE-RDJZCZTQSA-N 2 2 313.449 2.266 50 0 DEAALP CCc1nncn1CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000096461855 402092552 /nfs/dbraw/zinc/09/25/52/402092552.db2.gz BYUQWMRPEKPOQE-RDJZCZTQSA-N 2 2 313.449 2.266 50 0 DEAALP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096502943 402097899 /nfs/dbraw/zinc/09/78/99/402097899.db2.gz UJMOQZUWIFDGCK-AWEZNQCLSA-N 2 2 320.437 2.247 50 0 DEAALP Cc1ccc(NC[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)[nH+]c1 ZINC000097200958 402115734 /nfs/dbraw/zinc/11/57/34/402115734.db2.gz CUQMGOOPAMPVID-CYBMUJFWSA-N 2 2 323.404 2.005 50 0 DEAALP CCn1cc(C[N@H+](CC)C[C@]2(O)CCC[NH+]3CCCC[C@@H]32)cn1 ZINC000063868715 402116230 /nfs/dbraw/zinc/11/62/30/402116230.db2.gz XIZQQZJHYZTOLT-QZTJIDSGSA-N 2 2 320.481 2.104 50 0 DEAALP CCn1cc(C[N@@H+](CC)C[C@]2(O)CCC[NH+]3CCCC[C@@H]32)cn1 ZINC000063868715 402116232 /nfs/dbraw/zinc/11/62/32/402116232.db2.gz XIZQQZJHYZTOLT-QZTJIDSGSA-N 2 2 320.481 2.104 50 0 DEAALP CCn1cc(C[NH+](CC)C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)cn1 ZINC000063868715 402116236 /nfs/dbraw/zinc/11/62/36/402116236.db2.gz XIZQQZJHYZTOLT-QZTJIDSGSA-N 2 2 320.481 2.104 50 0 DEAALP CCn1cc(C[NH+](CC)C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)cn1 ZINC000063868715 402116240 /nfs/dbraw/zinc/11/62/40/402116240.db2.gz XIZQQZJHYZTOLT-QZTJIDSGSA-N 2 2 320.481 2.104 50 0 DEAALP CC(C)Cn1cncc1C[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063844651 402116608 /nfs/dbraw/zinc/11/66/08/402116608.db2.gz CGAWWZKNHQYGDP-QZTJIDSGSA-N 2 2 320.481 2.008 50 0 DEAALP CC(C)Cn1cncc1C[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063844651 402116611 /nfs/dbraw/zinc/11/66/11/402116611.db2.gz CGAWWZKNHQYGDP-QZTJIDSGSA-N 2 2 320.481 2.008 50 0 DEAALP Nc1cc[nH+]c(N2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000096148549 402062835 /nfs/dbraw/zinc/06/28/35/402062835.db2.gz ZJJWEWMBDJIHBH-GFCCVEGCSA-N 2 2 308.389 2.394 50 0 DEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1noc(-c2c(F)cccc2F)n1 ZINC000067847717 402174991 /nfs/dbraw/zinc/17/49/91/402174991.db2.gz QQOQYVMOXRYSHT-JTQLQIEISA-N 2 2 319.315 2.390 50 0 DEAALP Cc1cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)nc(N)[nH+]1 ZINC000071811073 402280764 /nfs/dbraw/zinc/28/07/64/402280764.db2.gz ASOVROYPDJJXEC-TXEJJXNPSA-N 2 2 314.393 2.119 50 0 DEAALP c1cn(CCCOc2ccc(C[NH+]3CCOCC3)cc2)c[nH+]1 ZINC000215572657 402283999 /nfs/dbraw/zinc/28/39/99/402283999.db2.gz IBUWPAQPOWNEJO-UHFFFAOYSA-N 2 2 301.390 2.184 50 0 DEAALP Cc1ncsc1CCCNc1cc([C@H]2C[C@H]([NH3+])C2)[nH+]c(N)n1 ZINC000252550004 402658302 /nfs/dbraw/zinc/65/83/02/402658302.db2.gz RYZATLCHDQOZRB-XYPYZODXSA-N 2 2 318.450 2.073 50 0 DEAALP C[NH+](C)CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000253426596 402665942 /nfs/dbraw/zinc/66/59/42/402665942.db2.gz JTEJSHASOWYTIL-UHFFFAOYSA-N 3 2 304.482 2.223 50 0 DEAALP CCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000195543794 402850882 /nfs/dbraw/zinc/85/08/82/402850882.db2.gz QVCXPZIJHXGQSC-YOEHRIQHSA-N 2 2 319.449 2.028 50 0 DEAALP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000131636493 196186205 /nfs/dbraw/zinc/18/62/05/196186205.db2.gz QVMVDEPCYPZFMD-CALCHBBNSA-N 3 2 320.481 2.094 50 0 DEAALP C[C@@H]1C[N@H+](CCC2CC[NH+](CCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000131636493 196186207 /nfs/dbraw/zinc/18/62/07/196186207.db2.gz QVMVDEPCYPZFMD-CALCHBBNSA-N 3 2 320.481 2.094 50 0 DEAALP Cn1c[nH+]cc1C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000132335986 196247643 /nfs/dbraw/zinc/24/76/43/196247643.db2.gz GXESZRCNHNAXAL-AWEZNQCLSA-N 2 2 322.771 2.108 50 0 DEAALP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523634 277184409 /nfs/dbraw/zinc/18/44/09/277184409.db2.gz LXPCWYRUDZWTGZ-MJGOQNOKSA-N 2 2 313.445 2.210 50 0 DEAALP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523634 277184410 /nfs/dbraw/zinc/18/44/10/277184410.db2.gz LXPCWYRUDZWTGZ-MJGOQNOKSA-N 2 2 313.445 2.210 50 0 DEAALP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523634 277184411 /nfs/dbraw/zinc/18/44/11/277184411.db2.gz LXPCWYRUDZWTGZ-MJGOQNOKSA-N 2 2 313.445 2.210 50 0 DEAALP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523634 277184412 /nfs/dbraw/zinc/18/44/12/277184412.db2.gz LXPCWYRUDZWTGZ-MJGOQNOKSA-N 2 2 313.445 2.210 50 0 DEAALP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)c1ccccc1F ZINC000215257828 278329183 /nfs/dbraw/zinc/32/91/83/278329183.db2.gz BHFGHANQJFKAFO-DYVFJYSZSA-N 2 2 319.424 2.219 50 0 DEAALP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)c1ccccc1F ZINC000215257828 278329184 /nfs/dbraw/zinc/32/91/84/278329184.db2.gz BHFGHANQJFKAFO-DYVFJYSZSA-N 2 2 319.424 2.219 50 0 DEAALP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000132012473 337383133 /nfs/dbraw/zinc/38/31/33/337383133.db2.gz IVOBDYOJOJQKIS-KRWDZBQOSA-N 2 2 302.422 2.384 50 0 DEAALP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000132012473 337383134 /nfs/dbraw/zinc/38/31/34/337383134.db2.gz IVOBDYOJOJQKIS-KRWDZBQOSA-N 2 2 302.422 2.384 50 0 DEAALP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000328588553 534462828 /nfs/dbraw/zinc/46/28/28/534462828.db2.gz IHHSQJRUTDVLGN-QXGSTGNESA-N 2 2 322.493 2.375 50 0 DEAALP C[C@@H]1C[NH+](CCC[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000328588553 534462836 /nfs/dbraw/zinc/46/28/36/534462836.db2.gz IHHSQJRUTDVLGN-QXGSTGNESA-N 2 2 322.493 2.375 50 0 DEAALP C[C@@H]1C[N@@H+](CCC[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000328588553 534462844 /nfs/dbraw/zinc/46/28/44/534462844.db2.gz 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Cn1c(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc2ccccc21 ZINC000072427067 191161422 /nfs/dbraw/zinc/16/14/22/191161422.db2.gz CIWVRKNLGNJPBH-GOSISDBHSA-N 2 2 301.434 2.067 50 0 DEAALP Cn1c(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc2ccccc21 ZINC000072427067 191161425 /nfs/dbraw/zinc/16/14/25/191161425.db2.gz CIWVRKNLGNJPBH-GOSISDBHSA-N 2 2 301.434 2.067 50 0 DEAALP Cc1nn(C)c2nc[nH+]c(N(C)C[C@@H]3CC[N@@H+](CC(C)C)C3)c12 ZINC000072458418 191173473 /nfs/dbraw/zinc/17/34/73/191173473.db2.gz QGDXBVVRBSJFMO-AWEZNQCLSA-N 2 2 316.453 2.086 50 0 DEAALP Cc1nn(C)c2nc[nH+]c(N(C)C[C@@H]3CC[N@H+](CC(C)C)C3)c12 ZINC000072458418 191173475 /nfs/dbraw/zinc/17/34/75/191173475.db2.gz QGDXBVVRBSJFMO-AWEZNQCLSA-N 2 2 316.453 2.086 50 0 DEAALP Cc1noc(CC[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)n1 ZINC000097095426 355701462 /nfs/dbraw/zinc/70/14/62/355701462.db2.gz AUKORDGPVITEPL-RHSMWYFYSA-N 2 2 314.433 2.421 50 0 DEAALP Cc1noc(CC[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000097095426 355701464 /nfs/dbraw/zinc/70/14/64/355701464.db2.gz AUKORDGPVITEPL-RHSMWYFYSA-N 2 2 314.433 2.421 50 0 DEAALP CCc1nncn1CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000110677591 355744335 /nfs/dbraw/zinc/74/43/35/355744335.db2.gz BYUQWMRPEKPOQE-NVXWUHKLSA-N 2 2 313.449 2.266 50 0 DEAALP CCc1nncn1CC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000110677591 355744338 /nfs/dbraw/zinc/74/43/38/355744338.db2.gz BYUQWMRPEKPOQE-NVXWUHKLSA-N 2 2 313.449 2.266 50 0 DEAALP c1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)[nH+]c1 ZINC000019777995 182147849 /nfs/dbraw/zinc/14/78/49/182147849.db2.gz OSAJFOBUQPNYHB-UHFFFAOYSA-N 2 2 313.401 2.405 50 0 DEAALP Cc1[nH+]c2ccccc2n1CCCNC(=O)C[N@@H+](C)C(C)C ZINC000058015460 184067301 /nfs/dbraw/zinc/06/73/01/184067301.db2.gz BGCAXUPALMGQOY-UHFFFAOYSA-N 2 2 302.422 2.191 50 0 DEAALP Cc1[nH+]c2ccccc2n1CCCNC(=O)C[N@H+](C)C(C)C ZINC000058015460 184067303 /nfs/dbraw/zinc/06/73/03/184067303.db2.gz BGCAXUPALMGQOY-UHFFFAOYSA-N 2 2 302.422 2.191 50 0 DEAALP O=C(NCCCn1cc[nH+]c1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095357065 402026961 /nfs/dbraw/zinc/02/69/61/402026961.db2.gz UWRXDUWNTXVKMF-KRWDZBQOSA-N 2 2 312.417 2.170 50 0 DEAALP O=C(NCCCn1cc[nH+]c1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095357064 402027028 /nfs/dbraw/zinc/02/70/28/402027028.db2.gz UWRXDUWNTXVKMF-QGZVFWFLSA-N 2 2 312.417 2.170 50 0 DEAALP O=C(c1ccc(C[C@H]2CCC[NH2+]C2)cc1)N1CCc2[nH]c[nH+]c2C1 ZINC000095370205 402029141 /nfs/dbraw/zinc/02/91/41/402029141.db2.gz WLCOUOAIJNNJBM-OAHLLOKOSA-N 2 2 324.428 2.150 50 0 DEAALP O=C(c1ccc(C[C@H]2CCC[NH2+]C2)cc1)N1CCc2[nH+]c[nH]c2C1 ZINC000095370205 402029144 /nfs/dbraw/zinc/02/91/44/402029144.db2.gz WLCOUOAIJNNJBM-OAHLLOKOSA-N 2 2 324.428 2.150 50 0 DEAALP CC(C)N1CC[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000096008651 402046585 /nfs/dbraw/zinc/04/65/85/402046585.db2.gz XPSNQIKIYSXUER-QGZVFWFLSA-N 2 2 318.465 2.385 50 0 DEAALP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000096435804 402086175 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CC(C)[N@H+](C)CC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000065521800 402125862 /nfs/dbraw/zinc/12/58/62/402125862.db2.gz WJUJGYRJFNKEIR-UHFFFAOYSA-N 2 2 318.465 2.274 50 0 DEAALP CC(C)[N@@H+](C)CC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000065521800 402125865 /nfs/dbraw/zinc/12/58/65/402125865.db2.gz WJUJGYRJFNKEIR-UHFFFAOYSA-N 2 2 318.465 2.274 50 0 DEAALP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccn[nH]2)C[C@H](C)O1 ZINC000066990221 402149954 /nfs/dbraw/zinc/14/99/54/402149954.db2.gz QYWOUZJBKNLEGE-GJZGRUSLSA-N 2 2 314.433 2.309 50 0 DEAALP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cc[nH]n2)C[C@H](C)O1 ZINC000066990221 402149955 /nfs/dbraw/zinc/14/99/55/402149955.db2.gz QYWOUZJBKNLEGE-GJZGRUSLSA-N 2 2 314.433 2.309 50 0 DEAALP C[NH2+][C@@H]1CCCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000255226593 402682101 /nfs/dbraw/zinc/68/21/01/402682101.db2.gz UIOGLVYFVYQJTK-CXOKCQFOSA-N 2 2 310.401 2.096 50 0 DEAALP CCCn1cc[nH+]c1CCCN(C)c1nc[nH+]c(N)c1Cl ZINC000192360109 402724311 /nfs/dbraw/zinc/72/43/11/402724311.db2.gz KVBMYAKKLPVFPM-UHFFFAOYSA-N 2 2 308.817 2.388 50 0 DEAALP CCCN(Cc1[nH+]ccn1C)C(=O)NC1CC[NH+](CCC)CC1 ZINC000426405531 405358175 /nfs/dbraw/zinc/35/81/75/405358175.db2.gz MOENOMUDXIOJEZ-UHFFFAOYSA-N 2 2 321.469 2.216 50 0 DEAALP CC(C)(C)CN1CCC[C@@H]([N@@H+]2CC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000583651532 405779554 /nfs/dbraw/zinc/77/95/54/405779554.db2.gz OKPMZVDIMNESRT-ZIAGYGMSSA-N 2 2 304.438 2.236 50 0 DEAALP CC(C)(C)CN1CCC[C@@H]([N@H+]2CC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000583651532 405779572 /nfs/dbraw/zinc/77/95/72/405779572.db2.gz OKPMZVDIMNESRT-ZIAGYGMSSA-N 2 2 304.438 2.236 50 0 DEAALP COCCn1c(C)c[nH+]c1[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000575316263 406806678 /nfs/dbraw/zinc/80/66/78/406806678.db2.gz BFHFPWJASXIAMY-MRXNPFEDSA-N 2 2 300.406 2.222 50 0 DEAALP COCCn1c(C)c[nH+]c1[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000575316263 406806684 /nfs/dbraw/zinc/80/66/84/406806684.db2.gz BFHFPWJASXIAMY-MRXNPFEDSA-N 2 2 300.406 2.222 50 0 DEAALP CCc1[nH]c(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)c(C)[nH+]1 ZINC000022913227 624857815 /nfs/dbraw/zinc/85/78/15/624857815.db2.gz QISRHAQKKWOHLB-INIZCTEOSA-N 2 2 322.497 2.195 50 0 DEAALP CCc1[nH]c(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)c(C)[nH+]1 ZINC000022913227 624857819 /nfs/dbraw/zinc/85/78/19/624857819.db2.gz QISRHAQKKWOHLB-INIZCTEOSA-N 2 2 322.497 2.195 50 0 DEAALP CCc1[nH]c(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c(C)[nH+]1 ZINC000022918442 624870679 /nfs/dbraw/zinc/87/06/79/624870679.db2.gz PZWWUTXWZQCCFH-HNNXBMFYSA-N 2 2 322.497 2.195 50 0 DEAALP CCc1[nH]c(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)c(C)[nH+]1 ZINC000022918442 624870682 /nfs/dbraw/zinc/87/06/82/624870682.db2.gz PZWWUTXWZQCCFH-HNNXBMFYSA-N 2 2 322.497 2.195 50 0 DEAALP Cc1[nH+]ccn1C[C@@H](C)[N@@H+]1CCN(C2CCCCC2)C(=O)C1 ZINC000821751106 1090609786 /nfs/dbraw/zinc/60/97/86/1090609786.db2.gz GBINMIIUHJWFHZ-CQSZACIVSA-N 2 2 304.438 2.057 50 0 DEAALP Cc1[nH+]ccn1C[C@@H](C)[N@H+]1CCN(C2CCCCC2)C(=O)C1 ZINC000821751106 1090609790 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C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CO ZINC000075876322 355111132 /nfs/dbraw/zinc/11/11/32/355111132.db2.gz BOCPDPSGGPXEAD-UKRRQHHQSA-N 2 2 316.367 2.450 50 0 DEAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]C1CCN(c3nccs3)CC1)C2 ZINC000097237311 355704179 /nfs/dbraw/zinc/70/41/79/355704179.db2.gz PDUKSKVBHDWSBL-CQSZACIVSA-N 2 2 317.462 2.221 50 0 DEAALP O=C(NCc1c[nH+]cn1C1CC1)c1ccc(C[NH+]2CCCC2)o1 ZINC000670470249 540938053 /nfs/dbraw/zinc/93/80/53/540938053.db2.gz IYCYTVUNLWJPLT-UHFFFAOYSA-N 2 2 314.389 2.337 50 0 DEAALP COc1c(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c(C)nn1C ZINC000058311011 184103478 /nfs/dbraw/zinc/10/34/78/184103478.db2.gz BKYYKMLAINMTIZ-UHFFFAOYSA-N 2 2 313.405 2.185 50 0 DEAALP CC1(C)NC(=[NH2+])NC(=[NH2+])N1OCc1cc(Cl)ccc1Cl ZINC000075260646 401756551 /nfs/dbraw/zinc/75/65/51/401756551.db2.gz WKDNHTRMTBQPAF-UHFFFAOYSA-N 2 2 316.192 2.106 50 0 DEAALP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)NC1CCC(C)CC1 ZINC000089922635 401973595 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CCc1oc(C(=O)NCCc2c[nH]c[nH+]2)cc1C[NH+](CC)CC ZINC000055119270 402076020 /nfs/dbraw/zinc/07/60/20/402076020.db2.gz AYZPZZPLAZJVHW-UHFFFAOYSA-N 2 2 318.421 2.379 50 0 DEAALP COC(=O)C1CC[NH+](CCC[NH+]2C[C@H](C)S[C@@H](C)C2)CC1 ZINC000097048462 402103147 /nfs/dbraw/zinc/10/31/47/402103147.db2.gz BQGQRDXYFZHSEH-KBPBESRZSA-N 2 2 314.495 2.087 50 0 DEAALP CCc1noc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000097200923 402115702 /nfs/dbraw/zinc/11/57/02/402115702.db2.gz JOMWVOKCUOUTQH-CYBMUJFWSA-N 2 2 301.394 2.269 50 0 DEAALP CCc1noc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000097200923 402115705 /nfs/dbraw/zinc/11/57/05/402115705.db2.gz JOMWVOKCUOUTQH-CYBMUJFWSA-N 2 2 301.394 2.269 50 0 DEAALP CCCc1nc(N2CC[N@H+](CC3CC3)[C@H](CCO)C2)cc(C)[nH+]1 ZINC000065384225 402123921 /nfs/dbraw/zinc/12/39/21/402123921.db2.gz WNNDRBDOTOKAKU-MRXNPFEDSA-N 2 2 318.465 2.021 50 0 DEAALP CCCc1nc(N2CC[N@@H+](CC3CC3)[C@H](CCO)C2)cc(C)[nH+]1 ZINC000065384225 402123922 /nfs/dbraw/zinc/12/39/22/402123922.db2.gz WNNDRBDOTOKAKU-MRXNPFEDSA-N 2 2 318.465 2.021 50 0 DEAALP C[C@H]([NH3+])CC(=O)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000067674095 402167295 /nfs/dbraw/zinc/16/72/95/402167295.db2.gz MQVKMHPMQJRZHL-AWEZNQCLSA-N 2 2 304.438 2.206 50 0 DEAALP c1ccc(-c2ncc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cn2)nc1 ZINC000067789862 402173037 /nfs/dbraw/zinc/17/30/37/402173037.db2.gz FPNZRMCUOPGJOI-SFHVURJKSA-N 2 2 309.417 2.114 50 0 DEAALP c1ccc(-c2ncc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cn2)nc1 ZINC000067789862 402173039 /nfs/dbraw/zinc/17/30/39/402173039.db2.gz FPNZRMCUOPGJOI-SFHVURJKSA-N 2 2 309.417 2.114 50 0 DEAALP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000158186611 402303308 /nfs/dbraw/zinc/30/33/08/402303308.db2.gz BXHRHPMTANVJQC-LBPRGKRZSA-N 2 2 300.406 2.109 50 0 DEAALP C[C@@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000253392382 402663341 /nfs/dbraw/zinc/66/33/41/402663341.db2.gz OSVKFAIGQKMJIA-KGLIPLIRSA-N 2 2 302.426 2.313 50 0 DEAALP C[C@@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000253392382 402663343 /nfs/dbraw/zinc/66/33/43/402663343.db2.gz OSVKFAIGQKMJIA-KGLIPLIRSA-N 2 2 302.426 2.313 50 0 DEAALP CC(C)(C[NH+]1CCCC1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000426538388 405367379 /nfs/dbraw/zinc/36/73/79/405367379.db2.gz ORNBRCHOYBAKHN-AWEZNQCLSA-N 2 2 319.453 2.173 50 0 DEAALP O=C(NCC[NH+]1CCCCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000534654360 334313114 /nfs/dbraw/zinc/31/31/14/334313114.db2.gz KZGSALAJPUGRIS-HNNXBMFYSA-N 2 2 319.453 2.175 50 0 DEAALP C[C@H](O)CCC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408519769 534055335 /nfs/dbraw/zinc/05/53/35/534055335.db2.gz ZWOMFTYLLKAIFE-HOTGVXAUSA-N 2 2 319.449 2.296 50 0 DEAALP C[C@H](O)CCC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408519769 534055343 /nfs/dbraw/zinc/05/53/43/534055343.db2.gz ZWOMFTYLLKAIFE-HOTGVXAUSA-N 2 2 319.449 2.296 50 0 DEAALP C[NH+](C)CCCC(C)(C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000585121300 789707377 /nfs/dbraw/zinc/70/73/77/789707377.db2.gz LJCZPKJHELIGSX-HNNXBMFYSA-N 2 2 321.469 2.027 50 0 DEAALP C[NH+](C)CCCC(C)(C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000585121300 789707383 /nfs/dbraw/zinc/70/73/83/789707383.db2.gz LJCZPKJHELIGSX-HNNXBMFYSA-N 2 2 321.469 2.027 50 0 DEAALP CC[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)Nc1cc(C)on1 ZINC000084718744 539398263 /nfs/dbraw/zinc/39/82/63/539398263.db2.gz ROVCGQJFOOAQSK-STQMWFEESA-N 2 2 317.393 2.064 50 0 DEAALP COC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000084048357 192397375 /nfs/dbraw/zinc/39/73/75/192397375.db2.gz KYTVAHFDSCPDGL-AWEZNQCLSA-N 2 2 314.389 2.111 50 0 DEAALP COc1ccccc1OC1C[NH+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000072138822 191048468 /nfs/dbraw/zinc/04/84/68/191048468.db2.gz JZIIFTQZWVFTFC-UHFFFAOYSA-N 2 2 312.413 2.460 50 0 DEAALP Cn1cc[nH+]c1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000072157371 191061217 /nfs/dbraw/zinc/06/12/17/191061217.db2.gz VHLDCAPATRUGGC-UHFFFAOYSA-N 2 2 302.397 2.267 50 0 DEAALP Cn1cc[nH+]c1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000072157371 191061219 /nfs/dbraw/zinc/06/12/19/191061219.db2.gz VHLDCAPATRUGGC-UHFFFAOYSA-N 2 2 302.397 2.267 50 0 DEAALP O[C@@]1(C[NH2+]Cc2cc(-c3ccccc3Cl)on2)CCC[NH2+]C1 ZINC000072474167 191177222 /nfs/dbraw/zinc/17/72/22/191177222.db2.gz WNBXVGYABDIFLY-INIZCTEOSA-N 2 2 321.808 2.199 50 0 DEAALP COC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192040108 356220075 /nfs/dbraw/zinc/22/00/75/356220075.db2.gz MQPZMXWEQFWUPT-QGZVFWFLSA-N 2 2 301.390 2.028 50 0 DEAALP COC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192040108 356220077 /nfs/dbraw/zinc/22/00/77/356220077.db2.gz MQPZMXWEQFWUPT-QGZVFWFLSA-N 2 2 301.390 2.028 50 0 DEAALP Cc1cccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000091876455 193121824 /nfs/dbraw/zinc/12/18/24/193121824.db2.gz MXMLIOLNKLXMLR-QZTJIDSGSA-N 2 2 317.477 2.306 50 0 DEAALP Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000091876455 193121826 /nfs/dbraw/zinc/12/18/26/193121826.db2.gz MXMLIOLNKLXMLR-QZTJIDSGSA-N 2 2 317.477 2.306 50 0 DEAALP COCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017415 193195232 /nfs/dbraw/zinc/19/52/32/193195232.db2.gz PHWDFJJCGVLYDC-IBGZPJMESA-N 2 2 318.461 2.377 50 0 DEAALP COCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017415 193195234 /nfs/dbraw/zinc/19/52/34/193195234.db2.gz PHWDFJJCGVLYDC-IBGZPJMESA-N 2 2 318.461 2.377 50 0 DEAALP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000022025348 182304866 /nfs/dbraw/zinc/30/48/66/182304866.db2.gz QXBTWVWXUCAWPR-GOSISDBHSA-N 2 2 319.449 2.091 50 0 DEAALP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000022025348 182304868 /nfs/dbraw/zinc/30/48/68/182304868.db2.gz QXBTWVWXUCAWPR-GOSISDBHSA-N 2 2 319.449 2.091 50 0 DEAALP Cc1nc2c(c(N[C@H](c3[nH+]ccn3C)C(C)C)n1)CC[NH2+]CC2 ZINC000072432219 401709769 /nfs/dbraw/zinc/70/97/69/401709769.db2.gz ZNJVUFVPKJYGLX-HNNXBMFYSA-N 2 2 314.437 2.016 50 0 DEAALP C[C@H](CC(=O)N(C)C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008706502 401755023 /nfs/dbraw/zinc/75/50/23/401755023.db2.gz YQFXQFNEYLNEMA-KGLIPLIRSA-N 2 2 300.406 2.390 50 0 DEAALP O[C@H](COc1ccc(F)cc1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051924685 402038208 /nfs/dbraw/zinc/03/82/08/402038208.db2.gz VTEQUOQXCATGIS-KRWDZBQOSA-N 2 2 322.424 2.126 50 0 DEAALP CC(C)N1CC[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000096008650 402046522 /nfs/dbraw/zinc/04/65/22/402046522.db2.gz XPSNQIKIYSXUER-KRWDZBQOSA-N 2 2 318.465 2.385 50 0 DEAALP Fc1ccccc1-n1cc(C[N@@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)cn1 ZINC000097088193 402105850 /nfs/dbraw/zinc/10/58/50/402105850.db2.gz AQNZGSICXHMAMM-HIFRSBDPSA-N 2 2 300.381 2.195 50 0 DEAALP Fc1ccccc1-n1cc(C[N@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)cn1 ZINC000097088193 402105853 /nfs/dbraw/zinc/10/58/53/402105853.db2.gz AQNZGSICXHMAMM-HIFRSBDPSA-N 2 2 300.381 2.195 50 0 DEAALP CCOCC[N@@H+]1CCN(C(=O)Nc2cc[nH+]cc2C)C[C@H]1CC ZINC000097104133 402107539 /nfs/dbraw/zinc/10/75/39/402107539.db2.gz PZHPQXVNNPYSNE-OAHLLOKOSA-N 2 2 320.437 2.355 50 0 DEAALP CCOCC[N@H+]1CCN(C(=O)Nc2cc[nH+]cc2C)C[C@H]1CC ZINC000097104133 402107542 /nfs/dbraw/zinc/10/75/42/402107542.db2.gz PZHPQXVNNPYSNE-OAHLLOKOSA-N 2 2 320.437 2.355 50 0 DEAALP O=C1Cc2ccc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc2O1 ZINC000097200733 402116150 /nfs/dbraw/zinc/11/61/50/402116150.db2.gz ZVZZMWOTMZNUCX-HNNXBMFYSA-N 2 2 323.396 2.477 50 0 DEAALP O=C1Cc2ccc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc2O1 ZINC000097200733 402116152 /nfs/dbraw/zinc/11/61/52/402116152.db2.gz ZVZZMWOTMZNUCX-HNNXBMFYSA-N 2 2 323.396 2.477 50 0 DEAALP Cc1nc(C)n(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000067974120 402181267 /nfs/dbraw/zinc/18/12/67/402181267.db2.gz JQKKWSAVGZFDSH-SFHVURJKSA-N 2 2 313.449 2.149 50 0 DEAALP Cc1nc(C)n(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000067974120 402181270 /nfs/dbraw/zinc/18/12/70/402181270.db2.gz JQKKWSAVGZFDSH-SFHVURJKSA-N 2 2 313.449 2.149 50 0 DEAALP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069434168 402223650 /nfs/dbraw/zinc/22/36/50/402223650.db2.gz CGZPDVQMKHAYJQ-HZPDHXFCSA-N 2 2 312.417 2.088 50 0 DEAALP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000069434168 402223651 /nfs/dbraw/zinc/22/36/51/402223651.db2.gz CGZPDVQMKHAYJQ-HZPDHXFCSA-N 2 2 312.417 2.088 50 0 DEAALP Cc1[nH+]c2ccccn2c1C[NH+]1CCC2(COC(=O)O2)CC1 ZINC000215716685 402284996 /nfs/dbraw/zinc/28/49/96/402284996.db2.gz OQGZFQCKYKQBQV-UHFFFAOYSA-N 2 2 301.346 2.144 50 0 DEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000191992809 402702874 /nfs/dbraw/zinc/70/28/74/402702874.db2.gz ROSZULBSKVDSHB-GOEBONIOSA-N 2 2 312.417 2.267 50 0 DEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000191992809 402702877 /nfs/dbraw/zinc/70/28/77/402702877.db2.gz ROSZULBSKVDSHB-GOEBONIOSA-N 2 2 312.417 2.267 50 0 DEAALP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000095996133 280272918 /nfs/dbraw/zinc/27/29/18/280272918.db2.gz SGIVMFYVSYMEOQ-CJNGLKHVSA-N 2 2 307.413 2.014 50 0 DEAALP CC[NH+](CC)CCC[C@@H](C)NC(=O)N1CCc2[nH+]c(C)[nH]c2C1 ZINC000534634269 334308624 /nfs/dbraw/zinc/30/86/24/334308624.db2.gz KHQTVLPIHGYCBP-CYBMUJFWSA-N 2 2 321.469 2.296 50 0 DEAALP CC[NH+](CC)CCC[C@@H](C)NC(=O)N1CCc2[nH]c(C)[nH+]c2C1 ZINC000534634269 334308625 /nfs/dbraw/zinc/30/86/25/334308625.db2.gz KHQTVLPIHGYCBP-CYBMUJFWSA-N 2 2 321.469 2.296 50 0 DEAALP c1ccc(N2CCC([NH2+][C@H]3COC[C@@H]3[NH+]3CCCC3)CC2)cc1 ZINC000534662005 334322440 /nfs/dbraw/zinc/32/24/40/334322440.db2.gz SFGYPGFPASWTJU-OALUTQOASA-N 2 2 315.461 2.108 50 0 DEAALP Cc1[nH+]ccn1CCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000222972848 563730150 /nfs/dbraw/zinc/73/01/50/563730150.db2.gz YHLRIEFSELINFH-UHFFFAOYSA-N 2 2 309.373 2.084 50 0 DEAALP CCc1[nH]c(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c(C)[nH+]1 ZINC000022913858 624862208 /nfs/dbraw/zinc/86/22/08/624862208.db2.gz ZXJNJYPZFYZBGM-INIZCTEOSA-N 2 2 320.481 2.092 50 0 DEAALP CCc1[nH]c(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)c(C)[nH+]1 ZINC000022913858 624862210 /nfs/dbraw/zinc/86/22/10/624862210.db2.gz ZXJNJYPZFYZBGM-INIZCTEOSA-N 2 2 320.481 2.092 50 0 DEAALP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)N1CCc2ccccc21 ZINC000887268690 692318334 /nfs/dbraw/zinc/31/83/34/692318334.db2.gz RSTVQYDJLFATDE-DLBZAZTESA-N 2 2 313.445 2.134 50 0 DEAALP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)N1CCc2ccccc21 ZINC000887268690 692318338 /nfs/dbraw/zinc/31/83/38/692318338.db2.gz RSTVQYDJLFATDE-DLBZAZTESA-N 2 2 313.445 2.134 50 0 DEAALP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)N1CCc2ccccc21 ZINC000887268690 692318341 /nfs/dbraw/zinc/31/83/41/692318341.db2.gz RSTVQYDJLFATDE-DLBZAZTESA-N 2 2 313.445 2.134 50 0 DEAALP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)N1CCc2ccccc21 ZINC000887268690 692318345 /nfs/dbraw/zinc/31/83/45/692318345.db2.gz RSTVQYDJLFATDE-DLBZAZTESA-N 2 2 313.445 2.134 50 0 DEAALP C[N@H+](C[C@H]1CCCO1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000095408731 185356638 /nfs/dbraw/zinc/35/66/38/185356638.db2.gz QMROSXJOEXAYAM-GOSISDBHSA-N 2 2 303.450 2.199 50 0 DEAALP C[N@@H+](C[C@H]1CCCO1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000095408731 185356639 /nfs/dbraw/zinc/35/66/39/185356639.db2.gz QMROSXJOEXAYAM-GOSISDBHSA-N 2 2 303.450 2.199 50 0 DEAALP Cc1ccc(C[NH2+]Cc2ccccc2CN2CC[NH+](C)CC2)nc1 ZINC000095416628 185359084 /nfs/dbraw/zinc/35/90/84/185359084.db2.gz MALNWLRVFUOSCK-UHFFFAOYSA-N 2 2 324.472 2.427 50 0 DEAALP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)nc1 ZINC000095416628 185359085 /nfs/dbraw/zinc/35/90/85/185359085.db2.gz MALNWLRVFUOSCK-UHFFFAOYSA-N 2 2 324.472 2.427 50 0 DEAALP C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(CC[NH3+])c1 ZINC000072143916 191051333 /nfs/dbraw/zinc/05/13/33/191051333.db2.gz NOFLIKPXNVCDKZ-UHFFFAOYSA-N 2 2 323.400 2.265 50 0 DEAALP C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(CC[NH3+])c1 ZINC000072143916 191051335 /nfs/dbraw/zinc/05/13/35/191051335.db2.gz NOFLIKPXNVCDKZ-UHFFFAOYSA-N 2 2 323.400 2.265 50 0 DEAALP FC(F)(F)c1ccccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000097088435 282924259 /nfs/dbraw/zinc/92/42/59/282924259.db2.gz FCGDCVZJUJCPES-CQSZACIVSA-N 2 2 313.367 2.185 50 0 DEAALP Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000192711674 356221401 /nfs/dbraw/zinc/22/14/01/356221401.db2.gz TYQXQHYUTYIBQH-UONOGXRCSA-N 2 2 315.421 2.240 50 0 DEAALP Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000192711674 356221406 /nfs/dbraw/zinc/22/14/06/356221406.db2.gz TYQXQHYUTYIBQH-UONOGXRCSA-N 2 2 315.421 2.240 50 0 DEAALP C[NH2+]C[C@H]1CCCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000237056972 202138463 /nfs/dbraw/zinc/13/84/63/202138463.db2.gz XJIJSQMKVZVRMB-RCMYXZNBSA-N 2 2 324.428 2.344 50 0 DEAALP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@@H]1CO ZINC000091693825 193093098 /nfs/dbraw/zinc/09/30/98/193093098.db2.gz AFBKUPAWLAMSKL-CHWSQXEVSA-N 2 2 300.805 2.081 50 0 DEAALP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@@H]1CO ZINC000091693825 193093100 /nfs/dbraw/zinc/09/31/00/193093100.db2.gz AFBKUPAWLAMSKL-CHWSQXEVSA-N 2 2 300.805 2.081 50 0 DEAALP C[N@@H+]1CCC[C@H](CCC(=O)N2CCC(Cn3cc[nH+]c3)CC2)C1 ZINC000095352146 402026390 /nfs/dbraw/zinc/02/63/90/402026390.db2.gz XQODBMQKDMJXBM-MRXNPFEDSA-N 2 2 318.465 2.244 50 0 DEAALP C[N@H+]1CCC[C@H](CCC(=O)N2CCC(Cn3cc[nH+]c3)CC2)C1 ZINC000095352146 402026393 /nfs/dbraw/zinc/02/63/93/402026393.db2.gz XQODBMQKDMJXBM-MRXNPFEDSA-N 2 2 318.465 2.244 50 0 DEAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1ncnn1-c1ccc(C(F)(F)F)cc1 ZINC000095361823 402027698 /nfs/dbraw/zinc/02/76/98/402027698.db2.gz QLNDYMOLGYBKHY-LBPRGKRZSA-N 2 2 322.294 2.252 50 0 DEAALP [NH3+][C@@H](Cc1c[nH]c[nH+]1)c1ncnn1-c1ccc(C(F)(F)F)cc1 ZINC000095361823 402027700 /nfs/dbraw/zinc/02/77/00/402027700.db2.gz QLNDYMOLGYBKHY-LBPRGKRZSA-N 2 2 322.294 2.252 50 0 DEAALP Nc1[nH+]cccc1CNC(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095372802 402029262 /nfs/dbraw/zinc/02/92/62/402029262.db2.gz XCWYHHHHJFYHRH-HNNXBMFYSA-N 2 2 310.401 2.061 50 0 DEAALP COCCn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000095504378 402034110 /nfs/dbraw/zinc/03/41/10/402034110.db2.gz OTSDFVHLCUPGDT-ZDUSSCGKSA-N 2 2 304.369 2.448 50 0 DEAALP CC[NH+](CC)CCOCC[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000096010191 402046764 /nfs/dbraw/zinc/04/67/64/402046764.db2.gz BSBFRBYRVCDKJW-UHFFFAOYSA-N 2 2 322.449 2.020 50 0 DEAALP CC[NH+](CC)CCOCC[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000096010191 402046768 /nfs/dbraw/zinc/04/67/68/402046768.db2.gz BSBFRBYRVCDKJW-UHFFFAOYSA-N 2 2 322.449 2.020 50 0 DEAALP COC(=O)c1sccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000096473698 402093110 /nfs/dbraw/zinc/09/31/10/402093110.db2.gz RSYOCOXKOMKKDU-UHFFFAOYSA-N 2 2 317.414 2.252 50 0 DEAALP Cc1ccc(NC[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)[nH+]c1 ZINC000097200957 402116318 /nfs/dbraw/zinc/11/63/18/402116318.db2.gz CUQMGOOPAMPVID-ZDUSSCGKSA-N 2 2 323.404 2.005 50 0 DEAALP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ncc[nH]3)cc2)C[C@H](C)O1 ZINC000067668526 402166401 /nfs/dbraw/zinc/16/64/01/402166401.db2.gz FAJXDMTWWXBCJV-GASCZTMLSA-N 2 2 314.433 2.309 50 0 DEAALP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ncc[nH]3)cc2)C[C@H](C)O1 ZINC000067668526 402166405 /nfs/dbraw/zinc/16/64/05/402166405.db2.gz FAJXDMTWWXBCJV-GASCZTMLSA-N 2 2 314.433 2.309 50 0 DEAALP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000069706787 402240452 /nfs/dbraw/zinc/24/04/52/402240452.db2.gz BYCYVZSPWNBQQY-DLBZAZTESA-N 2 2 312.417 2.350 50 0 DEAALP Cc1cnc(C[N@@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000069737070 402241315 /nfs/dbraw/zinc/24/13/15/402241315.db2.gz ANHBJSDYIAYUEG-UHFFFAOYSA-N 2 2 322.416 2.374 50 0 DEAALP Cc1cnc(C[N@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000069737070 402241318 /nfs/dbraw/zinc/24/13/18/402241318.db2.gz ANHBJSDYIAYUEG-UHFFFAOYSA-N 2 2 322.416 2.374 50 0 DEAALP CO[C@@H]1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)C1 ZINC000214949981 402280147 /nfs/dbraw/zinc/28/01/47/402280147.db2.gz QDOSVOFIQHBDTD-QGZVFWFLSA-N 2 2 301.390 2.183 50 0 DEAALP CO[C@@H]1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)C1 ZINC000214949981 402280151 /nfs/dbraw/zinc/28/01/51/402280151.db2.gz QDOSVOFIQHBDTD-QGZVFWFLSA-N 2 2 301.390 2.183 50 0 DEAALP Cc1cc(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc[nH+]1 ZINC000333241472 403704527 /nfs/dbraw/zinc/70/45/27/403704527.db2.gz ZZDLXGVEGRTDQI-UHFFFAOYSA-N 2 2 314.433 2.087 50 0 DEAALP Cc1ccc(OCC[N@H+]2CCC[C@@](CO)(C[NH+](C)C)C2)c(C)c1 ZINC001506415704 1061961462 /nfs/dbraw/zinc/96/14/62/1061961462.db2.gz BTQRSCLFNPVLMX-LJQANCHMSA-N 2 2 320.477 2.318 50 0 DEAALP Cc1ccc(OCC[N@@H+]2CCC[C@@](CO)(C[NH+](C)C)C2)c(C)c1 ZINC001506415704 1061961484 /nfs/dbraw/zinc/96/14/84/1061961484.db2.gz BTQRSCLFNPVLMX-LJQANCHMSA-N 2 2 320.477 2.318 50 0 DEAALP CC[NH+]1CCC(CC(=O)N[C@@H](c2[nH+]ccn2C)C(C)C)CC1 ZINC000095389105 185351143 /nfs/dbraw/zinc/35/11/43/185351143.db2.gz IXZVBMHKZCDKPQ-MRXNPFEDSA-N 2 2 306.454 2.355 50 0 DEAALP CC[NH+]1CCC(CC(=O)N[C@H](c2[nH+]ccn2C)C(C)C)CC1 ZINC000095389106 185351145 /nfs/dbraw/zinc/35/11/45/185351145.db2.gz IXZVBMHKZCDKPQ-INIZCTEOSA-N 2 2 306.454 2.355 50 0 DEAALP Cc1cccn2c(CNc3ccc(N4CCOCC4)c[nH+]3)c[nH+]c12 ZINC000097019301 185398058 /nfs/dbraw/zinc/39/80/58/185398058.db2.gz RGBDADVRBLRXKF-UHFFFAOYSA-N 2 2 323.400 2.486 50 0 DEAALP Cc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCCn4cc[nH+]c43)C2=O)cc1 ZINC000084150601 539393283 /nfs/dbraw/zinc/39/32/83/539393283.db2.gz CPSATAICTFQLPE-DOTOQJQBSA-N 2 2 324.428 2.464 50 0 DEAALP O=C(c1ccccc1)C1CC[NH+](Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072158405 191060278 /nfs/dbraw/zinc/06/02/78/191060278.db2.gz IWJDSUVYNPLCDF-UHFFFAOYSA-N 2 2 324.428 2.081 50 0 DEAALP Cc1ccc2[nH]c(C3CC[NH+](CCn4cnnc4)CC3)[nH+]c2c1 ZINC000670468961 540938258 /nfs/dbraw/zinc/93/82/58/540938258.db2.gz LFLZKFDMDAGTJD-UHFFFAOYSA-N 2 2 310.405 2.342 50 0 DEAALP Cc1[nH+]c(N2CCCC2)nc(N2CC[C@H](n3cc[nH+]c3)C2)c1C ZINC000065387415 184333808 /nfs/dbraw/zinc/33/38/08/184333808.db2.gz UGPJLHNTYBOUAW-HNNXBMFYSA-N 2 2 312.421 2.342 50 0 DEAALP CC[C@H](Nc1nc(N)[nH+]c2c1CC[NH2+]CC2)c1cccs1 ZINC000072408221 257270753 /nfs/dbraw/zinc/27/07/53/257270753.db2.gz CAQGVWCZRIZMKO-NSHDSACASA-N 2 2 303.435 2.372 50 0 DEAALP Cn1cc[nH+]c1CN1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077320141 401809933 /nfs/dbraw/zinc/80/99/33/401809933.db2.gz BVNNCSFEYUOFCS-UHFFFAOYSA-N 2 2 310.445 2.095 50 0 DEAALP Cn1cc[nH+]c1CN1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000077320141 401809936 /nfs/dbraw/zinc/80/99/36/401809936.db2.gz BVNNCSFEYUOFCS-UHFFFAOYSA-N 2 2 310.445 2.095 50 0 DEAALP CCCc1noc([C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000051959567 402038006 /nfs/dbraw/zinc/03/80/06/402038006.db2.gz OUQWMYIKBHIWOV-CQSZACIVSA-N 2 2 322.453 2.127 50 0 DEAALP C[C@H]1C[C@H](C)C[NH+](CCCNc2[nH+]cnc3c2cnn3C)C1 ZINC000052306122 402041728 /nfs/dbraw/zinc/04/17/28/402041728.db2.gz WMGSWRREUWCXHJ-STQMWFEESA-N 2 2 302.426 2.143 50 0 DEAALP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCCCCC1 ZINC000097200509 402115810 /nfs/dbraw/zinc/11/58/10/402115810.db2.gz YVHZTYPOQHYMDL-INIZCTEOSA-N 2 2 316.449 2.218 50 0 DEAALP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCCCCC1 ZINC000097200509 402115812 /nfs/dbraw/zinc/11/58/12/402115812.db2.gz YVHZTYPOQHYMDL-INIZCTEOSA-N 2 2 316.449 2.218 50 0 DEAALP CCCn1cc[nH+]c1CN1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000067955649 402180356 /nfs/dbraw/zinc/18/03/56/402180356.db2.gz UNVPJOXUCWDJFH-IYBDPMFKSA-N 2 2 320.481 2.367 50 0 DEAALP CCCn1cc[nH+]c1CN1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000067955649 402180359 /nfs/dbraw/zinc/18/03/59/402180359.db2.gz UNVPJOXUCWDJFH-IYBDPMFKSA-N 2 2 320.481 2.367 50 0 DEAALP c1ccc2[nH+]c(CCNc3cc([C@H]4CCC[NH2+]C4)ncn3)[nH]c2c1 ZINC000067841070 402174868 /nfs/dbraw/zinc/17/48/68/402174868.db2.gz ILVAWBDQDFVSGT-ZDUSSCGKSA-N 2 2 322.416 2.475 50 0 DEAALP COCC[NH+]1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000067867673 402176717 /nfs/dbraw/zinc/17/67/17/402176717.db2.gz JBDIKEGASONXBN-UHFFFAOYSA-N 2 2 300.406 2.152 50 0 DEAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cnc(-c2ccccn2)nc1 ZINC000215131824 402280627 /nfs/dbraw/zinc/28/06/27/402280627.db2.gz GTXNNVBBRBGHLH-UHFFFAOYSA-N 2 2 308.389 2.176 50 0 DEAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1cnc(-c2ccccn2)nc1 ZINC000215131824 402280632 /nfs/dbraw/zinc/28/06/32/402280632.db2.gz GTXNNVBBRBGHLH-UHFFFAOYSA-N 2 2 308.389 2.176 50 0 DEAALP CC[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1cc[nH+]c1-c1ccccc1 ZINC000221380691 402304182 /nfs/dbraw/zinc/30/41/82/402304182.db2.gz BRKRYIBABCJCTM-INIZCTEOSA-N 2 2 323.400 2.342 50 0 DEAALP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)CCCO2 ZINC000170079687 402503033 /nfs/dbraw/zinc/50/30/33/402503033.db2.gz BUQSFMSFEFMSLP-AEFFLSMTSA-N 2 2 304.434 2.173 50 0 DEAALP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)CCCO2 ZINC000170079687 402503034 /nfs/dbraw/zinc/50/30/34/402503034.db2.gz BUQSFMSFEFMSLP-AEFFLSMTSA-N 2 2 304.434 2.173 50 0 DEAALP CC[C@H](C)[C@H]([NH3+])C(=O)NCCc1[nH]c2ccc(C)c(C)c2[nH+]1 ZINC000299793980 403577363 /nfs/dbraw/zinc/57/73/63/403577363.db2.gz HWGVRFFAQXPRDO-BONVTDFDSA-N 2 2 302.422 2.212 50 0 DEAALP CC(C)(C)CN1CCC[C@H]([N@@H+]2CC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000583651524 405780324 /nfs/dbraw/zinc/78/03/24/405780324.db2.gz OKPMZVDIMNESRT-KBPBESRZSA-N 2 2 304.438 2.236 50 0 DEAALP CC(C)(C)CN1CCC[C@H]([N@H+]2CC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000583651524 405780330 /nfs/dbraw/zinc/78/03/30/405780330.db2.gz OKPMZVDIMNESRT-KBPBESRZSA-N 2 2 304.438 2.236 50 0 DEAALP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000585118167 405869798 /nfs/dbraw/zinc/86/97/98/405869798.db2.gz FCDBUISZAJFFST-CQSZACIVSA-N 2 2 324.494 2.195 50 0 DEAALP C[C@@H](C1CCN(c2cc(N(C)C)[nH+]cn2)CC1)[NH+]1CCCC1 ZINC000095383805 278220112 /nfs/dbraw/zinc/22/01/12/278220112.db2.gz PVOQQKRCIPZRON-AWEZNQCLSA-N 2 2 303.454 2.243 50 0 DEAALP C[C@@H](C1CCN(c2cc(N(C)C)nc[nH+]2)CC1)[NH+]1CCCC1 ZINC000095383805 278220114 /nfs/dbraw/zinc/22/01/14/278220114.db2.gz PVOQQKRCIPZRON-AWEZNQCLSA-N 2 2 303.454 2.243 50 0 DEAALP CCc1ccc(C[N@H+](C)C[C@]2(O)CCC[NH+]3CCCC[C@@H]32)nc1 ZINC000063856460 683922979 /nfs/dbraw/zinc/92/29/79/683922979.db2.gz CNBYQJJFMYTEOI-RTBURBONSA-N 2 2 317.477 2.455 50 0 DEAALP CCc1ccc(C[N@@H+](C)C[C@]2(O)CCC[NH+]3CCCC[C@@H]32)nc1 ZINC000063856460 683922982 /nfs/dbraw/zinc/92/29/82/683922982.db2.gz CNBYQJJFMYTEOI-RTBURBONSA-N 2 2 317.477 2.455 50 0 DEAALP CCc1ccc(C[NH+](C)C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)nc1 ZINC000063856460 683922983 /nfs/dbraw/zinc/92/29/83/683922983.db2.gz CNBYQJJFMYTEOI-RTBURBONSA-N 2 2 317.477 2.455 50 0 DEAALP CCc1ccc(C[NH+](C)C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)nc1 ZINC000063856460 683922985 /nfs/dbraw/zinc/92/29/85/683922985.db2.gz CNBYQJJFMYTEOI-RTBURBONSA-N 2 2 317.477 2.455 50 0 DEAALP CC(C)C[N@H+](C1CN(C(=O)C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000581799740 784778570 /nfs/dbraw/zinc/77/85/70/784778570.db2.gz RXNACGFBWPKQKO-UHFFFAOYSA-N 2 2 307.482 2.050 50 0 DEAALP CC(C)C[N@@H+](C1CN(C(=O)C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000581799740 784778595 /nfs/dbraw/zinc/77/85/95/784778595.db2.gz RXNACGFBWPKQKO-UHFFFAOYSA-N 2 2 307.482 2.050 50 0 DEAALP Cn1cc[nH+]c1CC[N@@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC001506399098 1061939907 /nfs/dbraw/zinc/93/99/07/1061939907.db2.gz JWBXMIAPISRDMR-INIZCTEOSA-N 2 2 300.406 2.039 50 0 DEAALP Cn1cc[nH+]c1CC[N@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC001506399098 1061939929 /nfs/dbraw/zinc/93/99/29/1061939929.db2.gz JWBXMIAPISRDMR-INIZCTEOSA-N 2 2 300.406 2.039 50 0 DEAALP O=C1CCCN1CC[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082134932 192360240 /nfs/dbraw/zinc/36/02/40/192360240.db2.gz XCXDSWFDDDVQCM-INIZCTEOSA-N 2 2 316.449 2.095 50 0 DEAALP O=C1CCCN1CC[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082134932 192360243 /nfs/dbraw/zinc/36/02/43/192360243.db2.gz XCXDSWFDDDVQCM-INIZCTEOSA-N 2 2 316.449 2.095 50 0 DEAALP Cc1ccc2[nH+]cc(CNc3ccc[nH+]c3N3CCOCC3)n2c1 ZINC000095436142 185365026 /nfs/dbraw/zinc/36/50/26/185365026.db2.gz GIYNKZXZYZRSBW-UHFFFAOYSA-N 2 2 323.400 2.486 50 0 DEAALP OCC1CC[NH+](Cc2ccccc2NCc2c[nH+]c[nH]2)CC1 ZINC000086257961 539403445 /nfs/dbraw/zinc/40/34/45/539403445.db2.gz COSMQTNXMIVJJL-UHFFFAOYSA-N 2 2 300.406 2.226 50 0 DEAALP OCC1CC[NH+](Cc2ccccc2NCc2c[nH]c[nH+]2)CC1 ZINC000086257961 539403450 /nfs/dbraw/zinc/40/34/50/539403450.db2.gz COSMQTNXMIVJJL-UHFFFAOYSA-N 2 2 300.406 2.226 50 0 DEAALP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ncnn1C ZINC000189957692 186255088 /nfs/dbraw/zinc/25/50/88/186255088.db2.gz LZCWFFRJIOTZRU-GJZGRUSLSA-N 2 2 313.449 2.061 50 0 DEAALP CC[C@@H](Cn1cc[nH+]c1)NC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000584895683 357328763 /nfs/dbraw/zinc/32/87/63/357328763.db2.gz FWPHHHNWPIBNLS-HNNXBMFYSA-N 2 2 304.438 2.187 50 0 DEAALP CNc1cc(C)[nH+]c(N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)n1 ZINC000092107695 193160453 /nfs/dbraw/zinc/16/04/53/193160453.db2.gz UXCYPECBCKTDIW-HUUCEWRRSA-N 2 2 301.438 2.137 50 0 DEAALP CNc1cc(C)[nH+]c(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)n1 ZINC000092107695 193160454 /nfs/dbraw/zinc/16/04/54/193160454.db2.gz UXCYPECBCKTDIW-HUUCEWRRSA-N 2 2 301.438 2.137 50 0 DEAALP CCCCc1[nH]c(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c[nH+]1 ZINC000019740738 182141803 /nfs/dbraw/zinc/14/18/03/182141803.db2.gz FNWRTBPCWJDDHS-KRWDZBQOSA-N 2 2 322.497 2.277 50 0 DEAALP CCCCc1[nH]c(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)c[nH+]1 ZINC000019740738 182141804 /nfs/dbraw/zinc/14/18/04/182141804.db2.gz FNWRTBPCWJDDHS-KRWDZBQOSA-N 2 2 322.497 2.277 50 0 DEAALP CCCCc1[nH]cc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)[nH+]1 ZINC000019740738 182141805 /nfs/dbraw/zinc/14/18/05/182141805.db2.gz FNWRTBPCWJDDHS-KRWDZBQOSA-N 2 2 322.497 2.277 50 0 DEAALP CCCCc1[nH]cc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)[nH+]1 ZINC000019740738 182141806 /nfs/dbraw/zinc/14/18/06/182141806.db2.gz FNWRTBPCWJDDHS-KRWDZBQOSA-N 2 2 322.497 2.277 50 0 DEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cccs3)C2)CC1 ZINC000020455537 182219385 /nfs/dbraw/zinc/21/93/85/182219385.db2.gz RYGXWJDUGBGHFU-CYBMUJFWSA-N 2 2 307.463 2.037 50 0 DEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)c3cccs3)C2)CC1 ZINC000020455537 182219386 /nfs/dbraw/zinc/21/93/86/182219386.db2.gz RYGXWJDUGBGHFU-CYBMUJFWSA-N 2 2 307.463 2.037 50 0 DEAALP CC(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000065373071 184330473 /nfs/dbraw/zinc/33/04/73/184330473.db2.gz LJUZWKLPJRMPFL-MRXNPFEDSA-N 2 2 306.454 2.144 50 0 DEAALP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000237407582 257239545 /nfs/dbraw/zinc/23/95/45/257239545.db2.gz UVCWSZCUYVEOJJ-JWLFTQPQSA-N 2 2 310.401 2.224 50 0 DEAALP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075532791 401761957 /nfs/dbraw/zinc/76/19/57/401761957.db2.gz OTKCHOGIFITNAW-CQSZACIVSA-N 2 2 301.394 2.101 50 0 DEAALP O=C(C[N@@H+]1CCc2ccccc2C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077386474 401813275 /nfs/dbraw/zinc/81/32/75/401813275.db2.gz TWMHFMBYPCUHMK-KRWDZBQOSA-N 2 2 324.428 2.174 50 0 DEAALP O=C(C[N@H+]1CCc2ccccc2C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077386474 401813281 /nfs/dbraw/zinc/81/32/81/401813281.db2.gz TWMHFMBYPCUHMK-KRWDZBQOSA-N 2 2 324.428 2.174 50 0 DEAALP COc1ccc(-c2[nH+]c3ccc(NC(=O)C[NH3+])cn3c2C)cc1 ZINC000031958871 401875446 /nfs/dbraw/zinc/87/54/46/401875446.db2.gz VVOYIWHMFXANSR-UHFFFAOYSA-N 2 2 310.357 2.216 50 0 DEAALP CCC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)[C@H](C)C1 ZINC000089941564 401975693 /nfs/dbraw/zinc/97/56/93/401975693.db2.gz RCOCUPYDPDYETD-GDBMZVCRSA-N 2 2 314.433 2.379 50 0 DEAALP CC(C)Cn1c[nH+]cc1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000095361602 402027755 /nfs/dbraw/zinc/02/77/55/402027755.db2.gz ZLQJEHCAWQYQTG-UHFFFAOYSA-N 2 2 300.410 2.402 50 0 DEAALP O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCc2[nH+]c[nH]c2C1 ZINC000095369671 402029214 /nfs/dbraw/zinc/02/92/14/402029214.db2.gz GSGCCQRAHGUMMW-NSHDSACASA-N 2 2 302.403 2.094 50 0 DEAALP O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCc2[nH]c[nH+]c2C1 ZINC000095369671 402029217 /nfs/dbraw/zinc/02/92/17/402029217.db2.gz GSGCCQRAHGUMMW-NSHDSACASA-N 2 2 302.403 2.094 50 0 DEAALP Cc1nc(NC2CC[NH+](CC3CCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000095426144 402032545 /nfs/dbraw/zinc/03/25/45/402032545.db2.gz GBLFVINASVZHMK-UHFFFAOYSA-N 2 2 318.469 2.313 50 0 DEAALP Cc1nc(N(C)C)nc(NC2CC[NH+](CC3CCCC3)CC2)[nH+]1 ZINC000095426144 402032548 /nfs/dbraw/zinc/03/25/48/402032548.db2.gz GBLFVINASVZHMK-UHFFFAOYSA-N 2 2 318.469 2.313 50 0 DEAALP Cc1c[nH+]ccc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000096489260 402095916 /nfs/dbraw/zinc/09/59/16/402095916.db2.gz NKDDEQSHEKQKST-KBPBESRZSA-N 2 2 306.410 2.011 50 0 DEAALP Cc1cccc(NC[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)[nH+]1 ZINC000097201003 402116032 /nfs/dbraw/zinc/11/60/32/402116032.db2.gz IQRMPWPAGCFSLV-ZDUSSCGKSA-N 2 2 323.404 2.005 50 0 DEAALP Cc1nc2c(c(NCc3ccccc3-n3cc[nH+]c3)n1)CC[NH2+]C2 ZINC000067983054 402181776 /nfs/dbraw/zinc/18/17/76/402181776.db2.gz SGCVLJUADHLDDQ-UHFFFAOYSA-N 2 2 320.400 2.229 50 0 DEAALP CCc1[nH]c(C[N@@H+]2CC[C@@H](CNC(=O)C=C(C)C)C2)c(C)[nH+]1 ZINC000067588140 402163835 /nfs/dbraw/zinc/16/38/35/402163835.db2.gz RKXHSCLEBVJWMN-AWEZNQCLSA-N 2 2 304.438 2.185 50 0 DEAALP CCc1[nH]c(C[N@H+]2CC[C@@H](CNC(=O)C=C(C)C)C2)c(C)[nH+]1 ZINC000067588140 402163837 /nfs/dbraw/zinc/16/38/37/402163837.db2.gz RKXHSCLEBVJWMN-AWEZNQCLSA-N 2 2 304.438 2.185 50 0 DEAALP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000069706789 402240618 /nfs/dbraw/zinc/24/06/18/402240618.db2.gz BYCYVZSPWNBQQY-SJORKVTESA-N 2 2 312.417 2.350 50 0 DEAALP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000071828220 402284328 /nfs/dbraw/zinc/28/43/28/402284328.db2.gz PTYPNIRYRUOLRL-OAHLLOKOSA-N 2 2 300.406 2.269 50 0 DEAALP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000071828220 402284330 /nfs/dbraw/zinc/28/43/30/402284330.db2.gz PTYPNIRYRUOLRL-OAHLLOKOSA-N 2 2 300.406 2.269 50 0 DEAALP O=C(C[NH+]1CCCCCCC1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000222295296 402306834 /nfs/dbraw/zinc/30/68/34/402306834.db2.gz OTEIYRUWPRHGQN-UHFFFAOYSA-N 2 2 318.465 2.388 50 0 DEAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ncnn1C ZINC000249288235 402624831 /nfs/dbraw/zinc/62/48/31/402624831.db2.gz LZCWFFRJIOTZRU-HWWDLCQESA-N 2 2 313.449 2.061 50 0 DEAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ncnn1C ZINC000249288235 402624833 /nfs/dbraw/zinc/62/48/33/402624833.db2.gz LZCWFFRJIOTZRU-HWWDLCQESA-N 2 2 313.449 2.061 50 0 DEAALP C(=C\C[N@@H+]1CCOCC12CCC2)\C[NH+]1CCOCC12CCC2 ZINC000340175419 403572781 /nfs/dbraw/zinc/57/27/81/403572781.db2.gz YFJVFMAOUIRDGO-UPHRSURJSA-N 2 2 306.450 2.052 50 0 DEAALP C(=C\C[N@H+]1CCOCC12CCC2)\C[NH+]1CCOCC12CCC2 ZINC000340175419 403572789 /nfs/dbraw/zinc/57/27/89/403572789.db2.gz YFJVFMAOUIRDGO-UPHRSURJSA-N 2 2 306.450 2.052 50 0 DEAALP CC[C@@H](NC(=O)c1cc(C)ccc1OCC[NH3+])c1[nH]cc(C)[nH+]1 ZINC000426534112 405367374 /nfs/dbraw/zinc/36/73/74/405367374.db2.gz UTEDMCCOAYSESI-CQSZACIVSA-N 2 2 316.405 2.245 50 0 DEAALP C[C@@H](c1nnnn1C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000189560972 287162919 /nfs/dbraw/zinc/16/29/19/287162919.db2.gz CBXNFXDITIIMOD-CABCVRRESA-N 2 2 320.485 2.248 50 0 DEAALP C[C@@H](c1nnnn1C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000189560972 287162921 /nfs/dbraw/zinc/16/29/21/287162921.db2.gz CBXNFXDITIIMOD-CABCVRRESA-N 2 2 320.485 2.248 50 0 DEAALP Cc1nc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)cs1 ZINC000048231124 424831033 /nfs/dbraw/zinc/83/10/33/424831033.db2.gz CHJCEDYTHRURFT-UHFFFAOYSA-N 2 2 303.435 2.210 50 0 DEAALP O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)[C@H]1C=CC[NH2+]1 ZINC000534651644 334312292 /nfs/dbraw/zinc/31/22/92/334312292.db2.gz UWBCGHDYQBHZMV-MQBCKMQZSA-N 2 2 324.428 2.481 50 0 DEAALP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000241897280 534118405 /nfs/dbraw/zinc/11/84/05/534118405.db2.gz TXGHUHMIVOIEGD-YUELXQCFSA-N 2 2 320.458 2.451 50 0 DEAALP COC(=O)c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000241897280 534118412 /nfs/dbraw/zinc/11/84/12/534118412.db2.gz TXGHUHMIVOIEGD-YUELXQCFSA-N 2 2 320.458 2.451 50 0 DEAALP COC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000241897280 534118416 /nfs/dbraw/zinc/11/84/16/534118416.db2.gz TXGHUHMIVOIEGD-YUELXQCFSA-N 2 2 320.458 2.451 50 0 DEAALP COC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000241897280 534118421 /nfs/dbraw/zinc/11/84/21/534118421.db2.gz TXGHUHMIVOIEGD-YUELXQCFSA-N 2 2 320.458 2.451 50 0 DEAALP