smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578348089 375127255 /nfs/dbraw/zinc/12/72/55/375127255.db2.gz HAXIAENETVUNJD-OKILXGFUSA-N 2 3 325.457 -1.384 20 0 EAADHP C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000633086925 375245335 /nfs/dbraw/zinc/24/53/35/375245335.db2.gz BSWSXTNEMSGRER-ZIAGYGMSSA-N 2 3 327.473 -1.009 20 0 EAADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742935 415343862 /nfs/dbraw/zinc/34/38/62/415343862.db2.gz WNBDRXDLPRMZQR-UHFFFAOYSA-N 2 3 325.457 -1.194 20 0 EAADHP C[C@@H](CN)N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868391019 583442147 /nfs/dbraw/zinc/44/21/47/583442147.db2.gz RQKHSTFADDSBLH-BFHYXJOUSA-N 2 3 327.473 -1.010 20 0 EAADHP C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868391035 583442254 /nfs/dbraw/zinc/44/22/54/583442254.db2.gz RQKHSTFADDSBLH-MGPQQGTHSA-N 2 3 327.473 -1.010 20 0 EAADHP CCN(CCN)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868397228 583442157 /nfs/dbraw/zinc/44/21/57/583442157.db2.gz YIOWBNIIGMCVEQ-ZIAGYGMSSA-N 2 3 327.473 -1.009 20 0 EAADHP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000911380433 669417908 /nfs/dbraw/zinc/41/79/08/669417908.db2.gz RVCFTBLNPJCPHF-KGLIPLIRSA-N 2 3 327.473 -1.090 20 0 EAADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911537474 669430073 /nfs/dbraw/zinc/43/00/73/669430073.db2.gz XCSILMZDJZGOGH-BFHYXJOUSA-N 2 3 325.457 -1.053 20 0 EAADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911547608 669429417 /nfs/dbraw/zinc/42/94/17/669429417.db2.gz XCSILMZDJZGOGH-HZSPNIEDSA-N 2 3 325.457 -1.053 20 0 EAADHP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1C[NH+](C)C ZINC000923661052 670092576 /nfs/dbraw/zinc/09/25/76/670092576.db2.gz ATMQIKZOVDSHCT-ZIAGYGMSSA-N 2 3 333.502 -1.192 20 0 EAADHP O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119923 793350461 /nfs/dbraw/zinc/35/04/61/793350461.db2.gz JLNNOOIIVPVTOL-ACJLOTCBSA-N 2 3 347.463 -1.201 20 0 EAADHP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119923 793350451 /nfs/dbraw/zinc/35/04/51/793350451.db2.gz JLNNOOIIVPVTOL-ACJLOTCBSA-N 2 3 347.463 -1.201 20 0 EAADHP O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119924 793350578 /nfs/dbraw/zinc/35/05/78/793350578.db2.gz JLNNOOIIVPVTOL-FZKQIMNGSA-N 2 3 347.463 -1.201 20 0 EAADHP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119924 793350567 /nfs/dbraw/zinc/35/05/67/793350567.db2.gz JLNNOOIIVPVTOL-FZKQIMNGSA-N 2 3 347.463 -1.201 20 0 EAADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119925 793350548 /nfs/dbraw/zinc/35/05/48/793350548.db2.gz JLNNOOIIVPVTOL-SCLBCKFNSA-N 2 3 347.463 -1.201 20 0 EAADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119925 793350538 /nfs/dbraw/zinc/35/05/38/793350538.db2.gz JLNNOOIIVPVTOL-SCLBCKFNSA-N 2 3 347.463 -1.201 20 0 EAADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119926 793351344 /nfs/dbraw/zinc/35/13/44/793351344.db2.gz JLNNOOIIVPVTOL-UGSOOPFHSA-N 2 3 347.463 -1.201 20 0 EAADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119926 793351335 /nfs/dbraw/zinc/35/13/35/793351335.db2.gz JLNNOOIIVPVTOL-UGSOOPFHSA-N 2 3 347.463 -1.201 20 0 EAADHP N[C@@H](CSCC[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121039 793351669 /nfs/dbraw/zinc/35/16/69/793351669.db2.gz ROPBRTZSOMBTIO-HZMBPMFUSA-N 2 3 327.454 -2.056 20 0 EAADHP N[C@@H](CSCC[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121040 793351712 /nfs/dbraw/zinc/35/17/12/793351712.db2.gz ROPBRTZSOMBTIO-IINYFYTJSA-N 2 3 327.454 -2.056 20 0 EAADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121439 793350800 /nfs/dbraw/zinc/35/08/00/793350800.db2.gz SVFWKPKQHRHMKE-GUYCJALGSA-N 2 3 337.468 -1.016 20 0 EAADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121440 793351947 /nfs/dbraw/zinc/35/19/47/793351947.db2.gz SVFWKPKQHRHMKE-SUMWQHHRSA-N 2 3 337.468 -1.016 20 0 EAADHP O=C([C@H]1C[NH2+]CC12CNC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263185 793353921 /nfs/dbraw/zinc/35/39/21/793353921.db2.gz ZOLVTQMOVCSLIL-GFCCVEGCSA-N 2 3 331.424 -1.492 20 0 EAADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263186 793354627 /nfs/dbraw/zinc/35/46/27/793354627.db2.gz ZOLVTQMOVCSLIL-LBPRGKRZSA-N 2 3 331.424 -1.492 20 0 EAADHP N[C@@H](CSCC[NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277914 793355228 /nfs/dbraw/zinc/35/52/28/793355228.db2.gz XINFEWDLUHLSOM-NSHDSACASA-N 2 3 339.469 -1.282 20 0 EAADHP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158496461 793359310 /nfs/dbraw/zinc/35/93/10/793359310.db2.gz NZWQPIOVHUYPPB-RKWLLSJHSA-N 2 3 336.436 -1.063 20 0 EAADHP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)CSCC[NH3+] ZINC001158497536 793358291 /nfs/dbraw/zinc/35/82/91/793358291.db2.gz BDBKNDVEYZCSQP-FIQHERPVSA-N 2 3 330.454 -1.242 20 0 EAADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643425 793573793 /nfs/dbraw/zinc/57/37/93/793573793.db2.gz HSQREIXYHYYUOO-IHRRRGAJSA-N 2 3 341.456 -1.380 20 0 EAADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160656360 793576189 /nfs/dbraw/zinc/57/61/89/793576189.db2.gz VQPVVUHVJXRCLE-ZOBORPQBSA-N 2 3 341.456 -1.646 20 0 EAADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]1C2 ZINC001160791965 793577876 /nfs/dbraw/zinc/57/78/76/793577876.db2.gz JQICFCGPFLRBQK-FWIBFFJGSA-N 2 3 348.447 -1.348 20 0 EAADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]1C2 ZINC001160791966 793577111 /nfs/dbraw/zinc/57/71/11/793577111.db2.gz JQICFCGPFLRBQK-MTVAPTMQSA-N 2 3 348.447 -1.348 20 0 EAADHP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]1C[NH2+]CC2 ZINC001160811836 793578501 /nfs/dbraw/zinc/57/85/01/793578501.db2.gz VLLVNOJKNHBPOA-IIYDPXPESA-N 2 3 336.436 -1.203 20 0 EAADHP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]1C[NH2+]CC2 ZINC001160811838 793578591 /nfs/dbraw/zinc/57/85/91/793578591.db2.gz VLLVNOJKNHBPOA-PBFPGSCMSA-N 2 3 336.436 -1.203 20 0 EAADHP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381152 793597462 /nfs/dbraw/zinc/59/74/62/793597462.db2.gz NWIGVEBEFNDFGR-CVEARBPZSA-N 2 3 338.500 -1.239 20 0 EAADHP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381153 793596382 /nfs/dbraw/zinc/59/63/82/793596382.db2.gz NWIGVEBEFNDFGR-HOTGVXAUSA-N 2 3 338.500 -1.239 20 0 EAADHP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381154 793595870 /nfs/dbraw/zinc/59/58/70/793595870.db2.gz NWIGVEBEFNDFGR-HZPDHXFCSA-N 2 3 338.500 -1.239 20 0 EAADHP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381155 793597038 /nfs/dbraw/zinc/59/70/38/793597038.db2.gz NWIGVEBEFNDFGR-JKSUJKDBSA-N 2 3 338.500 -1.239 20 0 EAADHP C[NH+](C)CCN(C(=O)[C@H](N)CCCNC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC001161443327 793599650 /nfs/dbraw/zinc/59/96/50/793599650.db2.gz QEILUYZBJGKPNG-CHWSQXEVSA-N 2 3 328.461 -1.096 20 0 EAADHP C[NH+](C)CCN(C(=O)[C@@H](N)CCCNC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC001161443328 793599261 /nfs/dbraw/zinc/59/92/61/793599261.db2.gz QEILUYZBJGKPNG-OLZOCXBDSA-N 2 3 328.461 -1.096 20 0 EAADHP C[NH+](C)CCN(C(=O)[C@H](N)CCCNC(N)=O)[C@H]1CCC[NH2+]C1 ZINC001161443329 793599441 /nfs/dbraw/zinc/59/94/41/793599441.db2.gz QEILUYZBJGKPNG-QWHCGFSZSA-N 2 3 328.461 -1.096 20 0 EAADHP C[NH+](C)CCN(C(=O)[C@@H](N)CCCNC(N)=O)[C@H]1CCC[NH2+]C1 ZINC001161443330 793599808 /nfs/dbraw/zinc/59/98/08/793599808.db2.gz QEILUYZBJGKPNG-STQMWFEESA-N 2 3 328.461 -1.096 20 0 EAADHP CN(C)CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161448761 793599547 /nfs/dbraw/zinc/59/95/47/793599547.db2.gz HGPRTZQPFOWRHM-KBPBESRZSA-N 2 3 325.457 -1.003 20 0 EAADHP CN(C)CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161448762 793599281 /nfs/dbraw/zinc/59/92/81/793599281.db2.gz HGPRTZQPFOWRHM-KGLIPLIRSA-N 2 3 325.457 -1.003 20 0 EAADHP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001161476928 793600612 /nfs/dbraw/zinc/60/06/12/793600612.db2.gz CRCWKWCJUKOZFB-COPLHBTASA-N 2 3 330.454 -1.241 20 0 EAADHP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001161476929 793601331 /nfs/dbraw/zinc/60/13/31/793601331.db2.gz CRCWKWCJUKOZFB-MISXGVKJSA-N 2 3 330.454 -1.241 20 0 EAADHP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001161476930 793601606 /nfs/dbraw/zinc/60/16/06/793601606.db2.gz CRCWKWCJUKOZFB-MJVIPROJSA-N 2 3 330.454 -1.241 20 0 EAADHP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001161476931 793602951 /nfs/dbraw/zinc/60/29/51/793602951.db2.gz CRCWKWCJUKOZFB-WDMOLILDSA-N 2 3 330.454 -1.241 20 0 EAADHP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001161479573 793602660 /nfs/dbraw/zinc/60/26/60/793602660.db2.gz PQIUDDLJWYWNIJ-BQGCOEIASA-N 2 3 336.436 -1.061 20 0 EAADHP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001161479576 793603037 /nfs/dbraw/zinc/60/30/37/793603037.db2.gz PQIUDDLJWYWNIJ-DLTLXFJOSA-N 2 3 336.436 -1.061 20 0 EAADHP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001161479578 793602782 /nfs/dbraw/zinc/60/27/82/793602782.db2.gz PQIUDDLJWYWNIJ-OSRSDYAFSA-N 2 3 336.436 -1.061 20 0 EAADHP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001161479581 793602838 /nfs/dbraw/zinc/60/28/38/793602838.db2.gz PQIUDDLJWYWNIJ-UTJXIGIESA-N 2 3 336.436 -1.061 20 0 EAADHP CO[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1[NH3+] ZINC001161493295 793602330 /nfs/dbraw/zinc/60/23/30/793602330.db2.gz JOSSGUCJDIJJAI-XDQVBPFNSA-N 2 3 341.456 -1.382 20 0 EAADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697030 794158955 /nfs/dbraw/zinc/15/89/55/794158955.db2.gz OYFUMSKWPBIQQA-STQMWFEESA-N 2 3 341.456 -1.726 20 0 EAADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714539 794162122 /nfs/dbraw/zinc/16/21/22/794162122.db2.gz OEXMJIYQNNACRE-QNWHQSFQSA-N 2 3 327.429 -2.117 20 0 EAADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720389 794161930 /nfs/dbraw/zinc/16/19/30/794161930.db2.gz LENRNMSLWJHOLS-RVMXOQNASA-N 2 3 327.429 -1.724 20 0 EAADHP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219833691 794191862 /nfs/dbraw/zinc/19/18/62/794191862.db2.gz GQHYIVNZHOWBJQ-HDEZJCGLSA-N 2 3 338.452 -1.303 20 0 EAADHP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219833692 794191851 /nfs/dbraw/zinc/19/18/51/794191851.db2.gz GQHYIVNZHOWBJQ-MUIFIZLQSA-N 2 3 338.452 -1.303 20 0 EAADHP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219833693 794192218 /nfs/dbraw/zinc/19/22/18/794192218.db2.gz GQHYIVNZHOWBJQ-TXCZRRACSA-N 2 3 338.452 -1.303 20 0 EAADHP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219833694 794192416 /nfs/dbraw/zinc/19/24/16/794192416.db2.gz GQHYIVNZHOWBJQ-XOSAIJSUSA-N 2 3 338.452 -1.303 20 0 EAADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837276 794193456 /nfs/dbraw/zinc/19/34/56/794193456.db2.gz ITVDEQPCTXCIMV-DYEKYZERSA-N 2 3 332.470 -1.483 20 0 EAADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837277 794193451 /nfs/dbraw/zinc/19/34/51/794193451.db2.gz ITVDEQPCTXCIMV-MBNYWOFBSA-N 2 3 332.470 -1.483 20 0 EAADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837278 794193472 /nfs/dbraw/zinc/19/34/72/794193472.db2.gz ITVDEQPCTXCIMV-OBJOEFQTSA-N 2 3 332.470 -1.483 20 0 EAADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837279 794193140 /nfs/dbraw/zinc/19/31/40/794193140.db2.gz ITVDEQPCTXCIMV-SGMGOOAPSA-N 2 3 332.470 -1.483 20 0 EAADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC[NH2+]CCO ZINC001219918426 794211867 /nfs/dbraw/zinc/21/18/67/794211867.db2.gz LOEBTQAQZNQTMF-STQMWFEESA-N 2 3 329.445 -1.868 20 0 EAADHP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220020367 794230375 /nfs/dbraw/zinc/23/03/75/794230375.db2.gz GLGVXFKTHWCPPV-STQMWFEESA-N 2 3 349.439 -1.091 20 0 EAADHP C[C@H](N)C(=O)N1[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])COC1(C)C ZINC001220103467 794244078 /nfs/dbraw/zinc/24/40/78/794244078.db2.gz SNUXWAVDMMXWKM-UWVGGRQHSA-N 2 3 328.417 -1.242 20 0 EAADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(C[NH3+])COC1 ZINC001220154570 794254455 /nfs/dbraw/zinc/25/44/55/794254455.db2.gz UYEINBDLXMMVIV-RYUDHWBXSA-N 2 3 327.429 -1.722 20 0 EAADHP CN(CC[NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220517297 794309549 /nfs/dbraw/zinc/30/95/49/794309549.db2.gz FULFBKFWYYYBGE-KBPBESRZSA-N 2 3 342.488 -1.560 20 0 EAADHP [NH3+]CCN(CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)N(O)N=O ZINC001220900567 794379043 /nfs/dbraw/zinc/37/90/43/794379043.db2.gz MTWYCLLDRDYOLL-LLVKDONJSA-N 2 3 329.405 -1.475 20 0 EAADHP [NH3+]CCN(CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)N(O)N=O ZINC001220900568 794378718 /nfs/dbraw/zinc/37/87/18/794378718.db2.gz MTWYCLLDRDYOLL-NSHDSACASA-N 2 3 329.405 -1.475 20 0 EAADHP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220950778 794389902 /nfs/dbraw/zinc/38/99/02/794389902.db2.gz FXVZVMPUATWMHJ-STQMWFEESA-N 2 3 349.439 -1.091 20 0 EAADHP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001221391369 794434806 /nfs/dbraw/zinc/43/48/06/794434806.db2.gz LTFANBCUBYYARD-UWVGGRQHSA-N 2 3 343.432 -2.242 20 0 EAADHP [NH3+]CCOCCOCCOCCOCC[NH2+]C[C@]1(O)CCCNC1 ZINC001245988378 794670466 /nfs/dbraw/zinc/67/04/66/794670466.db2.gz HOQZUDDBHTUTIX-INIZCTEOSA-N 2 3 349.472 -1.284 20 0 EAADHP [NH3+]CCOCCOCCOCCOCC[NH2+]C[C@@]1(O)CCCNC1 ZINC001245988402 794670861 /nfs/dbraw/zinc/67/08/61/794670861.db2.gz HOQZUDDBHTUTIX-MRXNPFEDSA-N 2 3 349.472 -1.284 20 0 EAADHP