smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCN2C(=O)CNC2=O)CC1 ZINC000105862656 377369476 /nfs/dbraw/zinc/36/94/76/377369476.db2.gz QBBJZLAIULSQNI-ZDUSSCGKSA-N 2 0 326.441 -0.047 10 0 EBAERP O=C(CC[NH+]1CCC(c2ccnn2CCO)CC1)N1CC[NH2+]CC1 ZINC000262026566 154208666 /nfs/dbraw/zinc/20/86/66/154208666.db2.gz GMYXVDQZWOMJHY-UHFFFAOYSA-N 2 0 335.452 -0.123 10 0 EBAERP COc1cc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)ccc1OCC[NH+](C)C ZINC000262495878 154233630 /nfs/dbraw/zinc/23/36/30/154233630.db2.gz KALSCSZZNGJXKY-KBPBESRZSA-N 2 0 337.420 -0.025 10 0 EBAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000333752610 418999176 /nfs/dbraw/zinc/99/91/76/418999176.db2.gz ZGMCTKQXEQKNBL-CVEARBPZSA-N 2 0 339.484 -0.215 10 0 EBAERP Cc1nc2c(c(N3CC[NH+](CCC(N)=O)CC3)n1)CC[N@H+](C)CC2 ZINC000065468394 279111969 /nfs/dbraw/zinc/11/19/69/279111969.db2.gz UZCAZWUEACTALQ-UHFFFAOYSA-N 2 0 332.452 -0.187 10 0 EBAERP C[NH+]1CCC(N2CCN(C(=O)COC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000140000791 377063909 /nfs/dbraw/zinc/06/39/09/377063909.db2.gz RFBBAKXCRLCRGH-OAHLLOKOSA-N 2 0 340.468 -0.770 10 0 EBAERP C[NH+]1CCC(N2CCN(C(=O)COC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000140000641 377065430 /nfs/dbraw/zinc/06/54/30/377065430.db2.gz RFBBAKXCRLCRGH-HNNXBMFYSA-N 2 0 340.468 -0.770 10 0 EBAERP NC(=[NH2+])N(C(=O)c1nc(Cl)c(N)nc1N)[C@H]1C[NH+]2CCC1CC2 ZINC000584648063 381234329 /nfs/dbraw/zinc/23/43/29/381234329.db2.gz WWOKROUVLGVIPB-ZETCQYMHSA-N 2 0 338.803 -0.276 10 0 EBAERP CC(C)[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)[NH+]1CCN(C)CC1 ZINC000105105925 381249064 /nfs/dbraw/zinc/24/90/64/381249064.db2.gz ZEKCMJFUGNOJGU-JKSUJKDBSA-N 2 0 341.500 -0.112 10 0 EBAERP C[NH+](C)CCN1CCC(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000117030104 419808402 /nfs/dbraw/zinc/80/84/02/419808402.db2.gz OHSKHJPHUWXTFH-MRXNPFEDSA-N 2 0 341.500 -0.016 10 0 EBAERP C[NH+](C)C[C@H]1CN(CCCN2CCO[C@@H](C[NH+](C)C)C2)CCO1 ZINC000247060566 289217885 /nfs/dbraw/zinc/21/78/85/289217885.db2.gz RJQTTZPKGGUUHE-IRXDYDNUSA-N 2 0 328.501 -0.099 10 0 EBAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)C1 ZINC000246172083 719409127 /nfs/dbraw/zinc/40/91/27/719409127.db2.gz BGNHTTXPIPKTEI-NVXWUHKLSA-N 2 0 342.459 -0.059 10 0 EBAERP COCCNc1nc2c(c(N3CCO[C@H](C[NH3+])C3)n1)CC[NH2+]CC2 ZINC000072475855 203231817 /nfs/dbraw/zinc/23/18/17/203231817.db2.gz NNHYCKQSTVGTMC-GFCCVEGCSA-N 2 0 336.440 -0.613 10 0 EBAERP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000151869144 376998361 /nfs/dbraw/zinc/99/83/61/376998361.db2.gz QBPXTEFGBYSRGS-CYBMUJFWSA-N 2 0 336.440 -0.016 10 0 EBAERP C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377375233 379809566 /nfs/dbraw/zinc/80/95/66/379809566.db2.gz UMTYMPPUXUOWNE-QWHCGFSZSA-N 2 0 346.497 -0.449 10 0 EBAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000178881322 154121040 /nfs/dbraw/zinc/12/10/40/154121040.db2.gz WXADKFXGHCCSCP-CYBMUJFWSA-N 2 0 334.424 -0.310 10 0 EBAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000193626223 154160649 /nfs/dbraw/zinc/16/06/49/154160649.db2.gz CHCOQQIYTOKWGG-IXDOHACOSA-N 2 0 338.496 -0.047 10 0 EBAERP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cc2)CC1 ZINC000262066834 154210908 /nfs/dbraw/zinc/21/09/08/154210908.db2.gz BGPMMZQBJIQEDR-IRXDYDNUSA-N 2 0 332.448 -0.256 10 0 EBAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)CN2CCCC2=O)CC1 ZINC000246691070 154183184 /nfs/dbraw/zinc/18/31/84/154183184.db2.gz AGKDYTJAXWPMGY-GDBMZVCRSA-N 2 0 327.469 -0.006 10 0 EBAERP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262082189 154211547 /nfs/dbraw/zinc/21/15/47/154211547.db2.gz CLNKSLRFVPHSRL-CABCVRRESA-N 2 0 333.436 -0.710 10 0 EBAERP Cn1nc(CO)c2c1CCN(C(=O)[C@H]1CC3(C[N@@H+]1C)CC[NH2+]CC3)C2 ZINC000072418242 545685338 /nfs/dbraw/zinc/68/53/38/545685338.db2.gz AJVZVFAKABDMEH-MRXNPFEDSA-N 2 0 347.463 -0.129 10 0 EBAERP C[NH+](C)C[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CCO1 ZINC000179315982 154123636 /nfs/dbraw/zinc/12/36/36/154123636.db2.gz VBQFOJMSRSPTNM-INIZCTEOSA-N 2 0 341.500 -0.016 10 0 EBAERP C[NH+](C)C[C@@H]1CN(CCCN2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000158004112 289202155 /nfs/dbraw/zinc/20/21/55/289202155.db2.gz RJQTTZPKGGUUHE-IAGOWNOFSA-N 2 0 328.501 -0.099 10 0 EBAERP Cc1nc2c(c(N3CCC[N@@H+](C)CC3)n1)CC[NH+](C[C@@H](O)CO)CC2 ZINC000106979006 376580588 /nfs/dbraw/zinc/58/05/88/376580588.db2.gz WFPDGBRGFFRANR-OAHLLOKOSA-N 2 0 349.479 -0.319 10 0 EBAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCNC(=O)[C@H]2C)C1 ZINC000249027915 154192099 /nfs/dbraw/zinc/19/20/99/154192099.db2.gz LDQOQSQKKSEMMC-CABCVRRESA-N 2 0 340.468 -0.330 10 0 EBAERP COc1cc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)ccc1OCC[NH+](C)C ZINC000262495879 154233381 /nfs/dbraw/zinc/23/33/81/154233381.db2.gz KALSCSZZNGJXKY-KGLIPLIRSA-N 2 0 337.420 -0.025 10 0 EBAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)CC1=O ZINC000262229253 154218916 /nfs/dbraw/zinc/21/89/16/154218916.db2.gz KEFDKEWSJYAYNW-BARDWOONSA-N 2 0 338.452 -0.984 10 0 EBAERP CNC(=O)NC(=O)CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408079956 419191589 /nfs/dbraw/zinc/19/15/89/419191589.db2.gz ITGPLZQEHLZGHX-ZDUSSCGKSA-N 2 0 325.457 -0.068 10 0 EBAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)C1 ZINC000178885784 649980183 /nfs/dbraw/zinc/98/01/83/649980183.db2.gz BGNHTTXPIPKTEI-RDJZCZTQSA-N 2 0 342.459 -0.059 10 0 EBAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN([C@@H]3CC(=O)N(C)C3=O)CC2)C1 ZINC000117379986 381259079 /nfs/dbraw/zinc/25/90/79/381259079.db2.gz FWHIDXIXFVKSGZ-HUUCEWRRSA-N 2 0 338.452 -0.530 10 0 EBAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261632442 154196254 /nfs/dbraw/zinc/19/62/54/154196254.db2.gz CYCVLOFSLBLXMK-KGLIPLIRSA-N 2 0 326.441 -0.495 10 0 EBAERP CNC(=O)NC(=O)CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408079955 419191324 /nfs/dbraw/zinc/19/13/24/419191324.db2.gz ITGPLZQEHLZGHX-CYBMUJFWSA-N 2 0 325.457 -0.068 10 0 EBAERP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)cc2)CC1 ZINC000262066829 154210739 /nfs/dbraw/zinc/21/07/39/154210739.db2.gz BGPMMZQBJIQEDR-IAGOWNOFSA-N 2 0 332.448 -0.256 10 0 EBAERP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262082193 154211750 /nfs/dbraw/zinc/21/17/50/154211750.db2.gz CLNKSLRFVPHSRL-HUUCEWRRSA-N 2 0 333.436 -0.710 10 0 EBAERP C[C@H](O)C[N@H+](C)C1CCN(C(=O)C2CN(C)CC[NH+](C)C2)CC1 ZINC000907575028 650086881 /nfs/dbraw/zinc/08/68/81/650086881.db2.gz NLKCDYHRRZRQLU-AWEZNQCLSA-N 2 0 326.485 -0.217 10 0 EBAERP COCCNc1nc2c(c(N3CCO[C@@H](C[NH3+])C3)n1)CC[NH2+]CC2 ZINC000072475856 216253018 /nfs/dbraw/zinc/25/30/18/216253018.db2.gz NNHYCKQSTVGTMC-LBPRGKRZSA-N 2 0 336.440 -0.613 10 0 EBAERP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000151869062 376998453 /nfs/dbraw/zinc/99/84/53/376998453.db2.gz QBPXTEFGBYSRGS-ZDUSSCGKSA-N 2 0 336.440 -0.016 10 0 EBAERP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCC[NH3+])C(N)=O ZINC000196464522 420808595 /nfs/dbraw/zinc/80/85/95/420808595.db2.gz WHYFLVYSZQFSHS-AGIUHOORSA-N 2 0 341.456 -0.940 10 0 EBAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)C1 ZINC000246172078 719409283 /nfs/dbraw/zinc/40/92/83/719409283.db2.gz BGNHTTXPIPKTEI-DOTOQJQBSA-N 2 0 342.459 -0.059 10 0 EBAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000179517433 380899180 /nfs/dbraw/zinc/89/91/80/380899180.db2.gz LMKFXVLHDKAQAN-ZDUSSCGKSA-N 2 0 338.452 -0.391 10 0 EBAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188955201 381111258 /nfs/dbraw/zinc/11/12/58/381111258.db2.gz LMJQSWVXIRIHCO-AWEZNQCLSA-N 2 0 346.435 -0.566 10 0 EBAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CN2CCOCC2)CC1 ZINC000105903233 377371159 /nfs/dbraw/zinc/37/11/59/377371159.db2.gz XRZLMAHKLWSZQV-RDJZCZTQSA-N 2 0 329.485 -0.296 10 0 EBAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CN2CCOCC2)CC1 ZINC000105903236 377371191 /nfs/dbraw/zinc/37/11/91/377371191.db2.gz XRZLMAHKLWSZQV-WBVHZDCISA-N 2 0 329.485 -0.296 10 0 EBAERP C[NH+]1CCC[C@H]1CNC(=O)COCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000112924211 378896258 /nfs/dbraw/zinc/89/62/58/378896258.db2.gz QOWUUXVUKXCWMM-OKILXGFUSA-N 2 0 326.441 -0.576 10 0 EBAERP Cn1cc([C@H]2C[N@H+](CC(=O)N3CCN(C)CC3)C[C@@H]2C(N)=O)cn1 ZINC000329111375 155206622 /nfs/dbraw/zinc/20/66/22/155206622.db2.gz GQYGRSYHDRSFAT-KGLIPLIRSA-N 2 0 334.424 -0.255 10 0 EBAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262207439 154218424 /nfs/dbraw/zinc/21/84/24/154218424.db2.gz IOTXBVJUHUGSJO-XHSDSOJGSA-N 2 0 335.452 -0.050 10 0 EBAERP C[N@H+](CCN1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1)Cc1ccccc1 ZINC000262368631 154228516 /nfs/dbraw/zinc/22/85/16/154228516.db2.gz JTJXTCPNEPBLQT-MSOLQXFVSA-N 2 0 346.475 -0.015 10 0 EBAERP CN1CCO[C@@H](CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000112280431 378712337 /nfs/dbraw/zinc/71/23/37/378712337.db2.gz DKRRPCOZYYSGBB-HNNXBMFYSA-N 2 0 333.436 -0.106 10 0 EBAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)CN2CCCC2=O)CC1 ZINC000246691080 154182795 /nfs/dbraw/zinc/18/27/95/154182795.db2.gz AGKDYTJAXWPMGY-GOEBONIOSA-N 2 0 327.469 -0.006 10 0 EBAERP Cn1nc(CO)c2c1CCN(C(=O)[C@@H]1CC3(C[N@@H+]1C)CC[NH2+]CC3)C2 ZINC000072418241 545685538 /nfs/dbraw/zinc/68/55/38/545685538.db2.gz AJVZVFAKABDMEH-INIZCTEOSA-N 2 0 347.463 -0.129 10 0 EBAERP CNC(=O)C1(N2CCC[C@H]2C(=O)NCC[NH+](C)C)CCOCC1 ZINC000096113119 379531412 /nfs/dbraw/zinc/53/14/12/379531412.db2.gz YALFPNFXPALKIL-ZDUSSCGKSA-N 2 0 326.441 -0.576 10 0 biogenic EBAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188955182 381113020 /nfs/dbraw/zinc/11/30/20/381113020.db2.gz LMJQSWVXIRIHCO-CQSZACIVSA-N 2 0 346.435 -0.566 10 0 EBAERP C[C@@H]1CN(C2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)CCO1 ZINC000092079741 381874676 /nfs/dbraw/zinc/87/46/76/381874676.db2.gz DNWFYQCUMWBUQU-CYBMUJFWSA-N 2 0 336.436 -0.231 10 0 EBAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000333752612 418999366 /nfs/dbraw/zinc/99/93/66/418999366.db2.gz ZGMCTKQXEQKNBL-HZPDHXFCSA-N 2 0 339.484 -0.215 10 0 EBAERP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000178881334 154121139 /nfs/dbraw/zinc/12/11/39/154121139.db2.gz WXADKFXGHCCSCP-ZDUSSCGKSA-N 2 0 334.424 -0.310 10 0 EBAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)C1 ZINC000178885771 649980059 /nfs/dbraw/zinc/98/00/59/649980059.db2.gz BGNHTTXPIPKTEI-WBVHZDCISA-N 2 0 342.459 -0.059 10 0 EBAERP CN1CCO[C@H](CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000112280429 378713775 /nfs/dbraw/zinc/71/37/75/378713775.db2.gz DKRRPCOZYYSGBB-OAHLLOKOSA-N 2 0 333.436 -0.106 10 0 EBAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000261865802 154203572 /nfs/dbraw/zinc/20/35/72/154203572.db2.gz XIKFVLKRCWKTLZ-TZMCWYRMSA-N 2 0 336.440 -0.126 10 0 EBAERP CO[C@H]1C[C@@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)[N@H+](C)C1 ZINC000408046494 376296268 /nfs/dbraw/zinc/29/62/68/376296268.db2.gz WTZHYADKCFYMHM-GJZGRUSLSA-N 2 0 341.452 -0.609 10 0 EBAERP CC(C)[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)[NH+]1CCN(C)CC1 ZINC000105105919 381248441 /nfs/dbraw/zinc/24/84/41/381248441.db2.gz ZEKCMJFUGNOJGU-HZPDHXFCSA-N 2 0 341.500 -0.112 10 0 EBAERP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000332761323 377310719 /nfs/dbraw/zinc/31/07/19/377310719.db2.gz SINBNMZMZPWYOI-QLFBSQMISA-N 2 0 325.457 -0.653 10 0 EBAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cn1 ZINC000262062175 154210304 /nfs/dbraw/zinc/21/03/04/154210304.db2.gz AYFBCNWWWIBLCQ-UAGQMJEPSA-N 2 0 347.463 -0.096 10 0 EBAERP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262082194 154212132 /nfs/dbraw/zinc/21/21/32/154212132.db2.gz CLNKSLRFVPHSRL-LSDHHAIUSA-N 2 0 333.436 -0.710 10 0 EBAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CCO1 ZINC000179315972 289198163 /nfs/dbraw/zinc/19/81/63/289198163.db2.gz VBQFOJMSRSPTNM-MRXNPFEDSA-N 2 0 341.500 -0.016 10 0 EBAERP CC[NH+](CC)CCN(CCC(=O)N1CC[NH2+]CC1)S(C)(=O)=O ZINC000035401373 380959853 /nfs/dbraw/zinc/95/98/53/380959853.db2.gz ASIZGTZLQDFYPP-UHFFFAOYSA-N 2 0 334.486 -0.588 10 0 EBAERP CC(C)[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)[NH+]1CCN(C)CC1 ZINC000105105929 381249729 /nfs/dbraw/zinc/24/97/29/381249729.db2.gz ZEKCMJFUGNOJGU-HOTGVXAUSA-N 2 0 341.500 -0.112 10 0 EBAERP O=C(CN1CCN(Cc2ccccc2)CC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262415921 154230315 /nfs/dbraw/zinc/23/03/15/154230315.db2.gz ZPPKBAHIWIOJOX-SJORKVTESA-N 2 0 332.448 -0.499 10 0 EBAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000247395601 154186628 /nfs/dbraw/zinc/18/66/28/154186628.db2.gz XRZLMAHKLWSZQV-DOTOQJQBSA-N 2 0 329.485 -0.296 10 0 EBAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000263257461 154256002 /nfs/dbraw/zinc/25/60/02/154256002.db2.gz RDYMCKYFKLYYFI-BBRMVZONSA-N 2 0 340.468 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282127761 /nfs/dbraw/zinc/12/77/61/282127761.db2.gz RJQTTZPKGGUUHE-CALCHBBNSA-N 2 0 328.501 -0.099 10 0 EBAERP C[N@H+](C1CCN(C(=O)C2([NH3+])CCCC2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000643586291 375912507 /nfs/dbraw/zinc/91/25/07/375912507.db2.gz VKQNPMNFAVHIQM-KFWWJZLASA-N 2 0 341.452 -0.699 10 0 EBAERP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC000002560762 377152201 /nfs/dbraw/zinc/15/22/01/377152201.db2.gz WHYFLVYSZQFSHS-AVGNSLFASA-N 2 0 341.456 -0.940 10 0 EBAERP CCOC(=O)Cn1cc(-c2c(N)ncnc2N2CC[NH2+]CC2)cn1 ZINC000584645051 381233797 /nfs/dbraw/zinc/23/37/97/381233797.db2.gz IBFSVXZLGNFNDQ-UHFFFAOYSA-N 2 0 331.380 -0.105 10 0 EBAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000171588617 154094259 /nfs/dbraw/zinc/09/42/59/154094259.db2.gz TTXNHMSTHFLNDN-ZDUSSCGKSA-N 2 0 338.452 -0.391 10 0 EBAERP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262308846 154222845 /nfs/dbraw/zinc/22/28/45/154222845.db2.gz 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NLKCDYHRRZRQLU-CQSZACIVSA-N 2 0 326.485 -0.217 10 0 EBAERP C[NH+](C)CCN1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117030108 282098783 /nfs/dbraw/zinc/09/87/83/282098783.db2.gz OHSKHJPHUWXTFH-INIZCTEOSA-N 2 0 341.500 -0.016 10 0 EBAERP C[N@H+](CCN1C(=O)CNC1=O)C1CCN(CCn2cccn2)CC1 ZINC000105863442 377369277 /nfs/dbraw/zinc/36/92/77/377369277.db2.gz VAZRLDZBYUIZGB-UHFFFAOYSA-N 2 0 334.424 -0.169 10 0 EBAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000247395612 154186358 /nfs/dbraw/zinc/18/63/58/154186358.db2.gz XRZLMAHKLWSZQV-NVXWUHKLSA-N 2 0 329.485 -0.296 10 0 EBAERP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262308853 154223021 /nfs/dbraw/zinc/22/30/21/154223021.db2.gz QGGQVAGDIQYQQR-WBVHZDCISA-N 2 0 332.448 -0.105 10 0 EBAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CN2CCCC2=O)CC1 ZINC000111690439 278395452 /nfs/dbraw/zinc/39/54/52/278395452.db2.gz AGKDYTJAXWPMGY-ZBFHGGJFSA-N 2 0 327.469 -0.006 10 0 EBAERP 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