smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCCCN1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H](C)C1 ZINC000423518833 815109852 /nfs/dbraw/zinc/10/98/52/815109852.db2.gz PISRYSVFNBGSRO-HAMDTZRPSA-N 2 3 366.594 1.929 20 0 FDADHP CCN1CCN([C@H](C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422859332 814880117 /nfs/dbraw/zinc/88/01/17/814880117.db2.gz JTWHBMPUNGGLHJ-QFUCXCTJSA-N 2 3 358.530 1.858 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000516661231 816941051 /nfs/dbraw/zinc/94/10/51/816941051.db2.gz MNJHTSTWRAUXBE-PXNSSMCTSA-N 2 3 364.578 1.981 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000516661231 816941055 /nfs/dbraw/zinc/94/10/55/816941055.db2.gz MNJHTSTWRAUXBE-PXNSSMCTSA-N 2 3 364.578 1.981 20 0 FDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000849069032 977300822 /nfs/dbraw/zinc/30/08/22/977300822.db2.gz ZTDYHKIVYDKEBT-SFHVURJKSA-N 2 3 361.534 1.768 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@H]1C[NH+](C)C ZINC000875534752 991710867 /nfs/dbraw/zinc/71/08/67/991710867.db2.gz DQSGZUZQVDRWAV-LMMKCTJWSA-N 2 3 365.566 1.384 20 0 FDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000570271593 549219139 /nfs/dbraw/zinc/21/91/39/549219139.db2.gz BJMFQMUEYDCHRX-NSISKUIASA-N 2 3 358.530 1.862 20 0 FDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000570271593 549219143 /nfs/dbraw/zinc/21/91/43/549219143.db2.gz BJMFQMUEYDCHRX-NSISKUIASA-N 2 3 358.530 1.862 20 0 FDADHP CC(C)[NH+]1CCN(CCCN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000367043235 677481967 /nfs/dbraw/zinc/48/19/67/677481967.db2.gz OKVSABVFOWQQTC-HSALFYBXSA-N 2 3 352.567 1.586 20 0 FDADHP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000466026130 684801646 /nfs/dbraw/zinc/80/16/46/684801646.db2.gz MPJVENRWHVQGHJ-WMZOPIPTSA-N 2 3 351.539 1.281 20 0 FDADHP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000466026130 684801647 /nfs/dbraw/zinc/80/16/47/684801647.db2.gz MPJVENRWHVQGHJ-WMZOPIPTSA-N 2 3 351.539 1.281 20 0 FDADHP CCOCCCN1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H](C)C1 ZINC000423518812 815109048 /nfs/dbraw/zinc/10/90/48/815109048.db2.gz PISRYSVFNBGSRO-GKYDQMIMSA-N 2 3 366.594 1.929 20 0 FDADHP CCN1CCN(CCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422860896 814880711 /nfs/dbraw/zinc/88/07/11/814880711.db2.gz MCZIJDPMLFIHJB-TZIWHRDSSA-N 2 3 358.530 1.860 20 0 FDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000570271594 549219590 /nfs/dbraw/zinc/21/95/90/549219590.db2.gz BJMFQMUEYDCHRX-UXPWSPDFSA-N 2 3 358.530 1.862 20 0 FDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000570271594 549219597 /nfs/dbraw/zinc/21/95/97/549219597.db2.gz BJMFQMUEYDCHRX-UXPWSPDFSA-N 2 3 358.530 1.862 20 0 FDADHP NCC(=O)N1CCC[C@@H](C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415092025 791395306 /nfs/dbraw/zinc/39/53/06/791395306.db2.gz RWZOAVVFPIGYEH-FQEVSTJZSA-N 2 3 358.530 1.686 20 0 FDADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652350049 805248989 /nfs/dbraw/zinc/24/89/89/805248989.db2.gz BWTUNWZBDVDATP-UFYCRDLUSA-N 2 3 352.567 1.621 20 0 FDADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652350049 805248993 /nfs/dbraw/zinc/24/89/93/805248993.db2.gz BWTUNWZBDVDATP-UFYCRDLUSA-N 2 3 352.567 1.621 20 0 FDADHP CN1CCC([NH+]2CCC(NC[C@@H](O)C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000644533076 1013785935 /nfs/dbraw/zinc/78/59/35/1013785935.db2.gz MCIKZKYWLSEZLH-JOCHJYFZSA-N 2 3 374.573 1.628 20 0 FDADHP CN1CCC([NH+]2CCC(NC[C@@H](O)C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000644533076 1013785937 /nfs/dbraw/zinc/78/59/37/1013785937.db2.gz MCIKZKYWLSEZLH-JOCHJYFZSA-N 2 3 374.573 1.628 20 0 FDADHP COCC[N@H+](CCCN1CCN(C(C)C)CC1)CC1CC[NH+](C)CC1 ZINC000879125378 994559780 /nfs/dbraw/zinc/55/97/80/994559780.db2.gz AVDIAVOIKOJGKL-UHFFFAOYSA-N 2 3 354.583 1.693 20 0 FDADHP COCC[N@@H+](CCCN1CCN(C(C)C)CC1)CC1CC[NH+](C)CC1 ZINC000879125378 994559794 /nfs/dbraw/zinc/55/97/94/994559794.db2.gz AVDIAVOIKOJGKL-UHFFFAOYSA-N 2 3 354.583 1.693 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)CC2)CC1 ZINC000652143043 1016762592 /nfs/dbraw/zinc/76/25/92/1016762592.db2.gz MDQHWDIFEAKMJH-JXFKEZNVSA-N 2 3 363.550 1.315 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000051759945 523065814 /nfs/dbraw/zinc/06/58/14/523065814.db2.gz MFGZBXUMQKUTOV-RTBURBONSA-N 2 3 363.550 1.471 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000051759945 523065825 /nfs/dbraw/zinc/06/58/25/523065825.db2.gz MFGZBXUMQKUTOV-RTBURBONSA-N 2 3 363.550 1.471 20 0 FDADHP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC[NH2+]CC2 ZINC000424301898 538275852 /nfs/dbraw/zinc/27/58/52/538275852.db2.gz YDZQCEULQVTEFT-MJGOQNOKSA-N 2 3 358.530 1.870 20 0 FDADHP C[C@@H]1CC2(C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC[NH2+]CC2 ZINC000424301898 538275860 /nfs/dbraw/zinc/27/58/60/538275860.db2.gz YDZQCEULQVTEFT-MJGOQNOKSA-N 2 3 358.530 1.870 20 0 FDADHP COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000576280312 550531402 /nfs/dbraw/zinc/53/14/02/550531402.db2.gz JFHUWFMQFFHYIP-POAQFYNOSA-N 2 3 374.529 1.318 20 0 FDADHP COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000576280312 550531403 /nfs/dbraw/zinc/53/14/03/550531403.db2.gz JFHUWFMQFFHYIP-POAQFYNOSA-N 2 3 374.529 1.318 20 0 FDADHP [NH2+]=C(NC[C@@H]1CCCN1CCCO)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849112975 977324311 /nfs/dbraw/zinc/32/43/11/977324311.db2.gz GZRUWGDJKWNDOX-FQEVSTJZSA-N 2 3 373.545 1.612 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000374000605 261063149 /nfs/dbraw/zinc/06/31/49/261063149.db2.gz FLWZUCDUAKVPTE-PKOBYXMFSA-N 2 3 363.550 1.471 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000374000605 261063150 /nfs/dbraw/zinc/06/31/50/261063150.db2.gz FLWZUCDUAKVPTE-PKOBYXMFSA-N 2 3 363.550 1.471 20 0 FDADHP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000581960586 551156148 /nfs/dbraw/zinc/15/61/48/551156148.db2.gz GJCACCBMSYBLOF-SFHVURJKSA-N 2 3 364.578 1.983 20 0 FDADHP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000581960586 551156149 /nfs/dbraw/zinc/15/61/49/551156149.db2.gz GJCACCBMSYBLOF-SFHVURJKSA-N 2 3 364.578 1.983 20 0 FDADHP Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923483117 889430438 /nfs/dbraw/zinc/43/04/38/889430438.db2.gz LKCLFVFRNGKKQE-IBGZPJMESA-N 2 3 358.530 1.700 20 0 FDADHP Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923483117 889430447 /nfs/dbraw/zinc/43/04/47/889430447.db2.gz LKCLFVFRNGKKQE-IBGZPJMESA-N 2 3 358.530 1.700 20 0 FDADHP COCCC[NH+]1CCC(N2CCN(CC3CC[NH+](C)CC3)CC2)CC1 ZINC001172254605 961603717 /nfs/dbraw/zinc/60/37/17/961603717.db2.gz SIAJFLFNVDTDNX-UHFFFAOYSA-N 2 3 352.567 1.447 20 0 FDADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873212635 988651695 /nfs/dbraw/zinc/65/16/95/988651695.db2.gz QNADLOIGLFSCJP-JKSUJKDBSA-N 2 3 362.499 1.151 20 0 FDADHP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000177867597 174162126 /nfs/dbraw/zinc/16/21/26/174162126.db2.gz USTLXSLHSZHNGE-KRWDZBQOSA-N 2 3 365.566 1.528 20 0 FDADHP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000177867597 174162127 /nfs/dbraw/zinc/16/21/27/174162127.db2.gz USTLXSLHSZHNGE-KRWDZBQOSA-N 2 3 365.566 1.528 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000374080464 261075196 /nfs/dbraw/zinc/07/51/96/261075196.db2.gz RPDCKTCNHPUGLB-CEXWTWQISA-N 2 3 365.566 1.671 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000374080464 261075198 /nfs/dbraw/zinc/07/51/98/261075198.db2.gz RPDCKTCNHPUGLB-CEXWTWQISA-N 2 3 365.566 1.671 20 0 FDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374080464 261075199 /nfs/dbraw/zinc/07/51/99/261075199.db2.gz RPDCKTCNHPUGLB-CEXWTWQISA-N 2 3 365.566 1.671 20 0 FDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374080464 261075200 /nfs/dbraw/zinc/07/52/00/261075200.db2.gz RPDCKTCNHPUGLB-CEXWTWQISA-N 2 3 365.566 1.671 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CCOCC[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000178717744 525469134 /nfs/dbraw/zinc/46/91/34/525469134.db2.gz ZXNJEJMFDYDUKX-UAFMIMERSA-N 2 3 354.583 1.832 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CCOCC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000178717744 525469145 /nfs/dbraw/zinc/46/91/45/525469145.db2.gz ZXNJEJMFDYDUKX-UAFMIMERSA-N 2 3 354.583 1.832 20 0 FDADHP CCOCCC[N@@H+]1CC[C@@H](NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000484472500 686597162 /nfs/dbraw/zinc/59/71/62/686597162.db2.gz WGFWZCQCKHNMPH-AZUAARDMSA-N 2 3 354.583 1.739 20 0 FDADHP CCOCCC[N@H+]1CC[C@@H](NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000484472500 686597166 /nfs/dbraw/zinc/59/71/66/686597166.db2.gz WGFWZCQCKHNMPH-AZUAARDMSA-N 2 3 354.583 1.739 20 0 FDADHP CCOC(=O)C1([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000422914498 814903395 /nfs/dbraw/zinc/90/33/95/814903395.db2.gz ULORSRMQASZXMM-FGTMMUONSA-N 2 3 369.550 1.787 20 0 FDADHP [NH3+]CC[C@@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000443066948 821356132 /nfs/dbraw/zinc/35/61/32/821356132.db2.gz GDHVRBNYJWFAGH-IBGZPJMESA-N 2 3 358.530 1.959 20 0 FDADHP CC1(C)C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCN1Cc1ccccc1 ZINC001171977433 961394830 /nfs/dbraw/zinc/39/48/30/961394830.db2.gz BJZLQSCUPLWAMT-KRWDZBQOSA-N 2 3 364.494 1.568 20 0 FDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NCCN1CCCCC1 ZINC001200425656 974784177 /nfs/dbraw/zinc/78/41/77/974784177.db2.gz JDYCHNDWEAXVKK-UHFFFAOYSA-N 2 3 357.612 1.552 20 0 FDADHP C[N@@H+]1CC[C@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC[C@H]21 ZINC000868211618 977347952 /nfs/dbraw/zinc/34/79/52/977347952.db2.gz LREHXPVUYIYSRU-QFBILLFUSA-N 2 3 363.550 1.281 20 0 FDADHP C[N@H+]1CC[C@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC[C@H]21 ZINC000868211618 977347957 /nfs/dbraw/zinc/34/79/57/977347957.db2.gz LREHXPVUYIYSRU-QFBILLFUSA-N 2 3 363.550 1.281 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870022947 985530549 /nfs/dbraw/zinc/53/05/49/985530549.db2.gz FYWKRESHEAMJTO-NJDAHSKKSA-N 2 3 372.557 1.849 20 0 FDADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925718519 995731814 /nfs/dbraw/zinc/73/18/14/995731814.db2.gz XIMGSKRHVANPNZ-MOPGFXCFSA-N 2 3 350.551 1.735 20 0 FDADHP CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652363931 805296864 /nfs/dbraw/zinc/29/68/64/805296864.db2.gz SLOOHJHMIXULEN-VAMGGRTRSA-N 2 3 352.567 1.763 20 0 FDADHP CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652363931 805296873 /nfs/dbraw/zinc/29/68/73/805296873.db2.gz SLOOHJHMIXULEN-VAMGGRTRSA-N 2 3 352.567 1.763 20 0 FDADHP CCN1CCN([C@H](C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422859337 814879394 /nfs/dbraw/zinc/87/93/94/814879394.db2.gz JTWHBMPUNGGLHJ-YFVAEKQCSA-N 2 3 358.530 1.858 20 0 FDADHP C[NH+](C)CCOc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000666898616 841155699 /nfs/dbraw/zinc/15/56/99/841155699.db2.gz HTOOZWCZFUBBQE-KRWDZBQOSA-N 2 3 374.451 1.553 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)C[C@H]1C[NH+](C)C ZINC000875534753 991710399 /nfs/dbraw/zinc/71/03/99/991710399.db2.gz DQSGZUZQVDRWAV-ZHALLVOQSA-N 2 3 365.566 1.384 20 0 FDADHP C[NH+]1CCC(C[NH2+]C2CCN(c3ccncc3)CC2)(N2CCOCC2)CC1 ZINC000414486889 537821751 /nfs/dbraw/zinc/82/17/51/537821751.db2.gz RHHPJGAGQYZMJZ-UHFFFAOYSA-N 2 3 373.545 1.437 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000377032296 678431241 /nfs/dbraw/zinc/43/12/41/678431241.db2.gz QGOXJKNTCNUOBV-ZCNNSNEGSA-N 2 3 351.583 1.808 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000377032296 678431244 /nfs/dbraw/zinc/43/12/44/678431244.db2.gz QGOXJKNTCNUOBV-ZCNNSNEGSA-N 2 3 351.583 1.808 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3C[NH+](C)C)CC2)CC1 ZINC000516086050 689914674 /nfs/dbraw/zinc/91/46/74/689914674.db2.gz PDIZLYYSSKUTAH-LJQANCHMSA-N 2 3 350.551 1.735 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N3CCCCC[C@H]([NH3+])C3)CC2)CC1 ZINC000891460619 778063775 /nfs/dbraw/zinc/06/37/75/778063775.db2.gz HOQFTSRPFKERPK-INIZCTEOSA-N 2 3 351.539 1.458 20 0 FDADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335669 787782386 /nfs/dbraw/zinc/78/23/86/787782386.db2.gz YFPMNXQYVURAEK-UZLBHIALSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335669 787782389 /nfs/dbraw/zinc/78/23/89/787782389.db2.gz YFPMNXQYVURAEK-UZLBHIALSA-N 2 3 358.530 1.814 20 0 FDADHP CN1CCC[C@@]2(CC[N@H+](CC(O)CN3CC[C@]4(C3)CCC[NH+](C)C4)C2)C1 ZINC000815143393 941792500 /nfs/dbraw/zinc/79/25/00/941792500.db2.gz KAONHYICKXMKMK-NHCUHLMSSA-N 2 3 364.578 1.183 20 0 FDADHP CN1CCC[C@@]2(CC[N@@H+](CC(O)CN3CC[C@]4(C3)CCC[NH+](C)C4)C2)C1 ZINC000815143393 941792502 /nfs/dbraw/zinc/79/25/02/941792502.db2.gz KAONHYICKXMKMK-NHCUHLMSSA-N 2 3 364.578 1.183 20 0 FDADHP CN1CCC[C@@]2(CC[NH+](CC(O)CN3CC[C@]4(C3)CCC[N@H+](C)C4)C2)C1 ZINC000815143393 941792503 /nfs/dbraw/zinc/79/25/03/941792503.db2.gz KAONHYICKXMKMK-NHCUHLMSSA-N 2 3 364.578 1.183 20 0 FDADHP CN1CCC[C@@]2(CC[NH+](CC(O)CN3CC[C@]4(C3)CCC[N@@H+](C)C4)C2)C1 ZINC000815143393 941792504 /nfs/dbraw/zinc/79/25/04/941792504.db2.gz KAONHYICKXMKMK-NHCUHLMSSA-N 2 3 364.578 1.183 20 0 FDADHP C[NH+]1CCC[C@@]2(CCN(CC(O)CN3CC[C@]4(C3)CCC[N@@H+](C)C4)C2)C1 ZINC000815143393 941792505 /nfs/dbraw/zinc/79/25/05/941792505.db2.gz KAONHYICKXMKMK-NHCUHLMSSA-N 2 3 364.578 1.183 20 0 FDADHP C[NH+]1CCC[C@@]2(CCN(CC(O)CN3CC[C@]4(C3)CCC[N@H+](C)C4)C2)C1 ZINC000815143393 941792507 /nfs/dbraw/zinc/79/25/07/941792507.db2.gz KAONHYICKXMKMK-NHCUHLMSSA-N 2 3 364.578 1.183 20 0 FDADHP O=C1O[C@H](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC12CC[NH2+]CC2 ZINC000925849859 995795621 /nfs/dbraw/zinc/79/56/21/995795621.db2.gz RCAAPFSSODUVHK-HZUJVAHNSA-N 2 3 371.481 1.517 20 0 FDADHP CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652363932 1016970719 /nfs/dbraw/zinc/97/07/19/1016970719.db2.gz SLOOHJHMIXULEN-XUVXKRRUSA-N 2 3 352.567 1.763 20 0 FDADHP CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652363932 1016970722 /nfs/dbraw/zinc/97/07/22/1016970722.db2.gz SLOOHJHMIXULEN-XUVXKRRUSA-N 2 3 352.567 1.763 20 0 FDADHP C[NH+]1CCC[C@H]2CN(C[C@H](O)CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000248744114 537210751 /nfs/dbraw/zinc/21/07/51/537210751.db2.gz RIZJZSKKHVAEBO-CZLMFIFXSA-N 2 3 364.578 1.180 20 0 FDADHP C[NH+]1CCC[C@H]2CN(C[C@H](O)CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000248744114 537210752 /nfs/dbraw/zinc/21/07/52/537210752.db2.gz RIZJZSKKHVAEBO-CZLMFIFXSA-N 2 3 364.578 1.180 20 0 FDADHP C[NH+]1CCC[C@@H]2CN(C[C@@H](O)CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@@H]21 ZINC000248744114 537210753 /nfs/dbraw/zinc/21/07/53/537210753.db2.gz RIZJZSKKHVAEBO-CZLMFIFXSA-N 2 3 364.578 1.180 20 0 FDADHP C[NH+]1CCC[C@@H]2CN(C[C@@H](O)CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@@H]21 ZINC000248744114 537210754 /nfs/dbraw/zinc/21/07/54/537210754.db2.gz RIZJZSKKHVAEBO-CZLMFIFXSA-N 2 3 364.578 1.180 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000576596023 550566658 /nfs/dbraw/zinc/56/66/58/550566658.db2.gz SNZWPNGDPUQTSY-PMACEKPBSA-N 2 3 362.562 1.926 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000576596023 550566659 /nfs/dbraw/zinc/56/66/59/550566659.db2.gz SNZWPNGDPUQTSY-PMACEKPBSA-N 2 3 362.562 1.926 20 0 FDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000581125322 551054411 /nfs/dbraw/zinc/05/44/11/551054411.db2.gz LUPMEQXSSDYRGA-OXQOHEQNSA-N 2 3 358.530 1.862 20 0 FDADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000414715186 679364927 /nfs/dbraw/zinc/36/49/27/679364927.db2.gz YHOGLPZHAKVGPO-IBGZPJMESA-N 2 3 350.551 1.772 20 0 FDADHP CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1(C[NH3+])CCCCC1 ZINC000891462821 778067422 /nfs/dbraw/zinc/06/74/22/778067422.db2.gz SWNZBLOVGDOEIM-UHFFFAOYSA-N 2 3 365.566 1.848 20 0 FDADHP C[NH2+]C[C@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000891462795 778067667 /nfs/dbraw/zinc/06/76/67/778067667.db2.gz SFQBORKLNWGPJJ-GOSISDBHSA-N 2 3 351.539 1.329 20 0 FDADHP CCC[NH+]1CCN(c2ccccc2CN(C)CCN2CC[NH2+]CC2)CC1 ZINC000647492669 785644794 /nfs/dbraw/zinc/64/47/94/785644794.db2.gz RMPFJSOAEKSSNZ-UHFFFAOYSA-N 2 3 359.562 1.556 20 0 FDADHP NCC(=O)N1CCC[C@H](C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415092026 791395128 /nfs/dbraw/zinc/39/51/28/791395128.db2.gz RWZOAVVFPIGYEH-HXUWFJFHSA-N 2 3 358.530 1.686 20 0 FDADHP CCC[NH+]1CCC(N(C)CC(O)CN(C)C2CC[NH+](CCC)CC2)CC1 ZINC000194601944 537300509 /nfs/dbraw/zinc/30/05/09/537300509.db2.gz NWWGSWWXWTZDEY-UHFFFAOYSA-N 2 3 368.610 1.960 20 0 FDADHP CCCN1CCC([N@H+](C)CC(O)CN(C)C2CC[NH+](CCC)CC2)CC1 ZINC000194601944 537300515 /nfs/dbraw/zinc/30/05/15/537300515.db2.gz NWWGSWWXWTZDEY-UHFFFAOYSA-N 2 3 368.610 1.960 20 0 FDADHP CCCN1CCC([N@@H+](C)CC(O)CN(C)C2CC[NH+](CCC)CC2)CC1 ZINC000194601944 537300522 /nfs/dbraw/zinc/30/05/22/537300522.db2.gz NWWGSWWXWTZDEY-UHFFFAOYSA-N 2 3 368.610 1.960 20 0 FDADHP O=C1N[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000662281279 806389653 /nfs/dbraw/zinc/38/96/53/806389653.db2.gz METCOLBUBBNYQY-VQTJNVASSA-N 2 3 369.513 1.052 20 0 FDADHP O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647790226 810392233 /nfs/dbraw/zinc/39/22/33/810392233.db2.gz UTQRSZIJOLTQLN-QHAWAJNXSA-N 2 3 370.541 1.990 20 0 FDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000849117777 977330483 /nfs/dbraw/zinc/33/04/83/977330483.db2.gz VNHRQWCTEPYKCK-IBGZPJMESA-N 2 3 373.545 1.612 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000374000599 261063120 /nfs/dbraw/zinc/06/31/20/261063120.db2.gz FLWZUCDUAKVPTE-HKUYNNGSSA-N 2 3 363.550 1.471 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000374000599 261063121 /nfs/dbraw/zinc/06/31/21/261063121.db2.gz FLWZUCDUAKVPTE-HKUYNNGSSA-N 2 3 363.550 1.471 20 0 FDADHP CC[NH+](CC)CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758399 523068307 /nfs/dbraw/zinc/06/83/07/523068307.db2.gz SPOUXKPYWJSTJB-UHFFFAOYSA-N 2 3 353.555 1.576 20 0 FDADHP CCN1CCC([NH+](C)CCOCC[N@@H+](C)C2CCN(CC)CC2)CC1 ZINC000489455291 538813938 /nfs/dbraw/zinc/81/39/38/538813938.db2.gz HUSMUBJGVVOVAU-UHFFFAOYSA-N 2 3 354.583 1.835 20 0 FDADHP CCN1CCC([NH+](C)CCOCC[N@H+](C)C2CCN(CC)CC2)CC1 ZINC000489455291 538813943 /nfs/dbraw/zinc/81/39/43/538813943.db2.gz HUSMUBJGVVOVAU-UHFFFAOYSA-N 2 3 354.583 1.835 20 0 FDADHP O=C1N[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000662281277 806389416 /nfs/dbraw/zinc/38/94/16/806389416.db2.gz METCOLBUBBNYQY-PMACEKPBSA-N 2 3 369.513 1.052 20 0 FDADHP CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420328690 813618298 /nfs/dbraw/zinc/61/82/98/813618298.db2.gz MTEZUKUZFNSKLQ-XUVXKRRUSA-N 2 3 358.530 1.727 20 0 FDADHP CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420328690 813618302 /nfs/dbraw/zinc/61/83/02/813618302.db2.gz MTEZUKUZFNSKLQ-XUVXKRRUSA-N 2 3 358.530 1.727 20 0 FDADHP C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1C[NH3+] ZINC000923501950 889482927 /nfs/dbraw/zinc/48/29/27/889482927.db2.gz UEBKLZKMIJITEC-YLJYHZDGSA-N 2 3 358.530 1.815 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCN2C2CCCC2)C[C@H]1C[NH+](C)C ZINC000875872199 992118726 /nfs/dbraw/zinc/11/87/26/992118726.db2.gz BFZLOFADGMZJLN-LMMKCTJWSA-N 2 3 365.566 1.384 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)CC2)CC1 ZINC000887926825 997956224 /nfs/dbraw/zinc/95/62/24/997956224.db2.gz ZDHNKGMOSSGLLR-GHTZIAJQSA-N 2 3 362.562 1.593 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)CC2)CC1 ZINC000887926825 997956228 /nfs/dbraw/zinc/95/62/28/997956228.db2.gz ZDHNKGMOSSGLLR-GHTZIAJQSA-N 2 3 362.562 1.593 20 0 FDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000575120277 550428947 /nfs/dbraw/zinc/42/89/47/550428947.db2.gz YEEOFFFSQALBFN-IBGZPJMESA-N 2 3 367.582 1.918 20 0 FDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000575120277 550428948 /nfs/dbraw/zinc/42/89/48/550428948.db2.gz YEEOFFFSQALBFN-IBGZPJMESA-N 2 3 367.582 1.918 20 0 FDADHP CN1CCC[C@]2(CC[N@H+](CC(O)CN3CC[C@@]4(C3)CCC[NH+](C)C4)C2)C1 ZINC000815143394 941792378 /nfs/dbraw/zinc/79/23/78/941792378.db2.gz KAONHYICKXMKMK-SFTDATJTSA-N 2 3 364.578 1.183 20 0 FDADHP CN1CCC[C@]2(CC[N@@H+](CC(O)CN3CC[C@@]4(C3)CCC[NH+](C)C4)C2)C1 ZINC000815143394 941792381 /nfs/dbraw/zinc/79/23/81/941792381.db2.gz KAONHYICKXMKMK-SFTDATJTSA-N 2 3 364.578 1.183 20 0 FDADHP CN1CCC[C@]2(CC[NH+](CC(O)CN3CC[C@@]4(C3)CCC[N@H+](C)C4)C2)C1 ZINC000815143394 941792383 /nfs/dbraw/zinc/79/23/83/941792383.db2.gz KAONHYICKXMKMK-SFTDATJTSA-N 2 3 364.578 1.183 20 0 FDADHP CN1CCC[C@]2(CC[NH+](CC(O)CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)C2)C1 ZINC000815143394 941792385 /nfs/dbraw/zinc/79/23/85/941792385.db2.gz KAONHYICKXMKMK-SFTDATJTSA-N 2 3 364.578 1.183 20 0 FDADHP C[NH+]1CCC[C@]2(CCN(CC(O)CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)C2)C1 ZINC000815143394 941792387 /nfs/dbraw/zinc/79/23/87/941792387.db2.gz KAONHYICKXMKMK-SFTDATJTSA-N 2 3 364.578 1.183 20 0 FDADHP C[NH+]1CCC[C@]2(CCN(CC(O)CN3CC[C@@]4(C3)CCC[N@H+](C)C4)C2)C1 ZINC000815143394 941792389 /nfs/dbraw/zinc/79/23/89/941792389.db2.gz KAONHYICKXMKMK-SFTDATJTSA-N 2 3 364.578 1.183 20 0 FDADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000863547183 973001632 /nfs/dbraw/zinc/00/16/32/973001632.db2.gz KENAMPOQPZDZKG-RBUKOAKNSA-N 2 3 356.470 1.089 20 0 FDADHP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000177867610 174161969 /nfs/dbraw/zinc/16/19/69/174161969.db2.gz USTLXSLHSZHNGE-QGZVFWFLSA-N 2 3 365.566 1.528 20 0 FDADHP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000177867610 174161972 /nfs/dbraw/zinc/16/19/72/174161972.db2.gz USTLXSLHSZHNGE-QGZVFWFLSA-N 2 3 365.566 1.528 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)CC1 ZINC000333950983 259397112 /nfs/dbraw/zinc/39/71/12/259397112.db2.gz YOYUFJAJUWSQDT-YJBOKZPZSA-N 2 3 351.539 1.362 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000051759948 523067688 /nfs/dbraw/zinc/06/76/88/523067688.db2.gz MFGZBXUMQKUTOV-RBUKOAKNSA-N 2 3 363.550 1.471 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000051759948 523067693 /nfs/dbraw/zinc/06/76/93/523067693.db2.gz MFGZBXUMQKUTOV-RBUKOAKNSA-N 2 3 363.550 1.471 20 0 FDADHP C[C@H]1CCC[C@](CNC(=O)N(CCN(C)C)CC[NH+](C)C)([NH+](C)C)C1 ZINC000077785726 523466323 /nfs/dbraw/zinc/46/63/23/523466323.db2.gz INJVMCNFIAPQON-HKUYNNGSSA-N 2 3 355.571 1.632 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627132316 557283840 /nfs/dbraw/zinc/28/38/40/557283840.db2.gz GMPMRTGNXXYIEN-SJORKVTESA-N 2 3 351.539 1.329 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627132316 557283842 /nfs/dbraw/zinc/28/38/42/557283842.db2.gz GMPMRTGNXXYIEN-SJORKVTESA-N 2 3 351.539 1.329 20 0 FDADHP CN(CC(C)(C)C[NH+](C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892522167 786730970 /nfs/dbraw/zinc/73/09/70/786730970.db2.gz RGSSPVQSPNROJN-UHFFFAOYSA-N 2 3 367.582 1.774 20 0 FDADHP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335260 787780617 /nfs/dbraw/zinc/78/06/17/787780617.db2.gz YFPMNXQYVURAEK-JXFKEZNVSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335260 787780623 /nfs/dbraw/zinc/78/06/23/787780623.db2.gz YFPMNXQYVURAEK-JXFKEZNVSA-N 2 3 358.530 1.814 20 0 FDADHP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000176048378 174047170 /nfs/dbraw/zinc/04/71/70/174047170.db2.gz PGFMJPYUROUCKD-PKOBYXMFSA-N 2 3 365.566 1.717 20 0 FDADHP C[C@@H]1CCC[C@@](CNC(=O)N(CCN(C)C)CC[NH+](C)C)([NH+](C)C)C1 ZINC000077785720 523465391 /nfs/dbraw/zinc/46/53/91/523465391.db2.gz INJVMCNFIAPQON-IEBWSBKVSA-N 2 3 355.571 1.632 20 0 FDADHP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000601292011 553369827 /nfs/dbraw/zinc/36/98/27/553369827.db2.gz GJKUWNVWUDHWQR-GOSISDBHSA-N 2 3 365.566 1.717 20 0 FDADHP CC[NH+]1CCN(CCCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655688703 772322694 /nfs/dbraw/zinc/32/26/94/772322694.db2.gz BKJARXXSMJPSIT-HXUWFJFHSA-N 2 3 352.567 1.637 20 0 FDADHP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)CN(C)CC[C@@H]1CCCC[NH+]1C ZINC000246028416 889424478 /nfs/dbraw/zinc/42/44/78/889424478.db2.gz VTKHXBLIVLURQI-AERCQKQUSA-N 2 3 368.610 1.960 20 0 FDADHP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H](O)CN(C)CC[C@@H]1CCCC[NH+]1C ZINC000246028416 889424483 /nfs/dbraw/zinc/42/44/83/889424483.db2.gz VTKHXBLIVLURQI-AERCQKQUSA-N 2 3 368.610 1.960 20 0 FDADHP CN(CC[C@H]1CCCC[NH+]1C)C[C@H](O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000246028416 889424490 /nfs/dbraw/zinc/42/44/90/889424490.db2.gz VTKHXBLIVLURQI-AERCQKQUSA-N 2 3 368.610 1.960 20 0 FDADHP CN(CC[C@H]1CCCC[NH+]1C)C[C@H](O)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000246028416 889424498 /nfs/dbraw/zinc/42/44/98/889424498.db2.gz VTKHXBLIVLURQI-AERCQKQUSA-N 2 3 368.610 1.960 20 0 FDADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)C1 ZINC000873232704 988662936 /nfs/dbraw/zinc/66/29/36/988662936.db2.gz XFPBMPCZOJOGMO-SCTDSRPQSA-N 2 3 350.551 1.803 20 0 FDADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)C1 ZINC000873232704 988662941 /nfs/dbraw/zinc/66/29/41/988662941.db2.gz XFPBMPCZOJOGMO-SCTDSRPQSA-N 2 3 350.551 1.803 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CCOCC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000178717783 525468735 /nfs/dbraw/zinc/46/87/35/525468735.db2.gz ZXNJEJMFDYDUKX-FGYAAKKASA-N 2 3 354.583 1.832 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CCOCC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000178717783 525468739 /nfs/dbraw/zinc/46/87/39/525468739.db2.gz ZXNJEJMFDYDUKX-FGYAAKKASA-N 2 3 354.583 1.832 20 0 FDADHP C[C@@H]1C[C@H]([N@@H+](C)CCOCC[NH+](C)[C@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000178717783 525468742 /nfs/dbraw/zinc/46/87/42/525468742.db2.gz ZXNJEJMFDYDUKX-FGYAAKKASA-N 2 3 354.583 1.832 20 0 FDADHP C[C@@H]1C[C@H]([N@H+](C)CCOCC[NH+](C)[C@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000178717783 525468747 /nfs/dbraw/zinc/46/87/47/525468747.db2.gz ZXNJEJMFDYDUKX-FGYAAKKASA-N 2 3 354.583 1.832 20 0 FDADHP C[NH+]1CCC(C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000893354100 795841449 /nfs/dbraw/zinc/84/14/49/795841449.db2.gz DZYUGZXIUFDWAG-UHFFFAOYSA-N 2 3 358.530 1.944 20 0 FDADHP CCN1CCN(CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422860895 814880534 /nfs/dbraw/zinc/88/05/34/814880534.db2.gz MCZIJDPMLFIHJB-PZJWPPBQSA-N 2 3 358.530 1.860 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000516661236 816941006 /nfs/dbraw/zinc/94/10/06/816941006.db2.gz MNJHTSTWRAUXBE-YLJYHZDGSA-N 2 3 364.578 1.981 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000516661236 816941011 /nfs/dbraw/zinc/94/10/11/816941011.db2.gz MNJHTSTWRAUXBE-YLJYHZDGSA-N 2 3 364.578 1.981 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N(CC[NH3+])Cc3ccccc3)CC2)CC1 ZINC000669430320 863455898 /nfs/dbraw/zinc/45/58/98/863455898.db2.gz IKGSXECQQTYCII-UHFFFAOYSA-N 2 3 373.545 1.716 20 0 FDADHP C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1C[NH3+] ZINC000923501948 889483264 /nfs/dbraw/zinc/48/32/64/889483264.db2.gz UEBKLZKMIJITEC-PXNSSMCTSA-N 2 3 358.530 1.815 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH+](C)C ZINC000870018544 985521274 /nfs/dbraw/zinc/52/12/74/985521274.db2.gz RWGBOLXAHJKCSB-GPMSIDNRSA-N 2 3 356.530 1.397 20 0 FDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652349382 1016956147 /nfs/dbraw/zinc/95/61/47/1016956147.db2.gz MPIJRWWRIASAEN-YQVWRLOYSA-N 2 3 366.550 1.194 20 0 FDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649418200 1010338082 /nfs/dbraw/zinc/33/80/82/1010338082.db2.gz GOHPZFQPLMRSCL-ZWKOTPCHSA-N 2 3 350.551 1.687 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)CC1 ZINC000333950981 259396827 /nfs/dbraw/zinc/39/68/27/259396827.db2.gz YOYUFJAJUWSQDT-MAUKXSAKSA-N 2 3 351.539 1.362 20 0 FDADHP C[NH+]1CC[C@]2(CCN(CCOCCN3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000368351289 260170434 /nfs/dbraw/zinc/17/04/34/260170434.db2.gz DHHCRPFTOPXPSE-PMACEKPBSA-N 2 3 350.551 1.058 20 0 FDADHP C[NH+]1CC[C@]2(CCN(CCOCCN3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000368351289 260170436 /nfs/dbraw/zinc/17/04/36/260170436.db2.gz DHHCRPFTOPXPSE-PMACEKPBSA-N 2 3 350.551 1.058 20 0 FDADHP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C)CC[NH2+]CC2 ZINC000424301897 538275382 /nfs/dbraw/zinc/27/53/82/538275382.db2.gz YDZQCEULQVTEFT-IEBWSBKVSA-N 2 3 358.530 1.870 20 0 FDADHP C[C@@H]1CC2(C[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C)CC[NH2+]CC2 ZINC000424301897 538275389 /nfs/dbraw/zinc/27/53/89/538275389.db2.gz YDZQCEULQVTEFT-IEBWSBKVSA-N 2 3 358.530 1.870 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000576596028 550566389 /nfs/dbraw/zinc/56/63/89/550566389.db2.gz SNZWPNGDPUQTSY-WOJBJXKFSA-N 2 3 362.562 1.926 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000576596028 550566390 /nfs/dbraw/zinc/56/63/90/550566390.db2.gz SNZWPNGDPUQTSY-WOJBJXKFSA-N 2 3 362.562 1.926 20 0 FDADHP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CC[NH2+]CC1 ZINC000591566812 551880105 /nfs/dbraw/zinc/88/01/05/551880105.db2.gz UTVDRLQAKOJBPH-IRXDYDNUSA-N 2 3 366.550 1.066 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000377032295 678431214 /nfs/dbraw/zinc/43/12/14/678431214.db2.gz QGOXJKNTCNUOBV-XUVXKRRUSA-N 2 3 351.583 1.808 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000377032295 678431217 /nfs/dbraw/zinc/43/12/17/678431217.db2.gz QGOXJKNTCNUOBV-XUVXKRRUSA-N 2 3 351.583 1.808 20 0 FDADHP O=C(CN1CCC2(CC[NH2+]C2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000431022928 779851960 /nfs/dbraw/zinc/85/19/60/779851960.db2.gz PKXSEYUMJMHAMB-UHFFFAOYSA-N 2 3 370.541 1.974 20 0 FDADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652350050 805249016 /nfs/dbraw/zinc/24/90/16/805249016.db2.gz BWTUNWZBDVDATP-XUVXKRRUSA-N 2 3 352.567 1.621 20 0 FDADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652350050 805249017 /nfs/dbraw/zinc/24/90/17/805249017.db2.gz BWTUNWZBDVDATP-XUVXKRRUSA-N 2 3 352.567 1.621 20 0 FDADHP C[NH+](C)CCN1CCC(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655716922 827616821 /nfs/dbraw/zinc/61/68/21/827616821.db2.gz QEGDXHRHNULBRM-HXUWFJFHSA-N 2 3 352.567 1.493 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CCC34CC[NH+](C)CC4)CC2)CC1 ZINC000848371998 976700027 /nfs/dbraw/zinc/70/00/27/976700027.db2.gz ZMHMJSNHTDKEQH-UHFFFAOYSA-N 2 3 362.562 1.879 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH+](C)C ZINC000870018549 985521406 /nfs/dbraw/zinc/52/14/06/985521406.db2.gz RWGBOLXAHJKCSB-MDZRGWNJSA-N 2 3 356.530 1.397 20 0 FDADHP c1cc(OCC[NH+]2CCCC2)ccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000647541206 1009706895 /nfs/dbraw/zinc/70/68/95/1009706895.db2.gz LIFVQEPEIWMZGT-FQEVSTJZSA-N 2 3 358.530 1.641 20 0 FDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000569461449 548927449 /nfs/dbraw/zinc/92/74/49/548927449.db2.gz SENOGCILTZJZKG-SFTDATJTSA-N 2 3 361.530 1.494 20 0 FDADHP O=C(NC[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1)[C@@H]1CCC[NH2+]1 ZINC000570286393 549226356 /nfs/dbraw/zinc/22/63/56/549226356.db2.gz SRFJTWBMKZGGNJ-PXNSSMCTSA-N 2 3 356.514 1.413 20 0 FDADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CC[NH2+]CC1 ZINC000591566807 551880031 /nfs/dbraw/zinc/88/00/31/551880031.db2.gz UTVDRLQAKOJBPH-DLBZAZTESA-N 2 3 366.550 1.066 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)CC2)CC1 ZINC000626958325 557241606 /nfs/dbraw/zinc/24/16/06/557241606.db2.gz OACIQGAGHQATNN-BGYRXZFFSA-N 2 3 363.550 1.186 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000891460644 778063541 /nfs/dbraw/zinc/06/35/41/778063541.db2.gz IHGDDUKZLSEIIB-VBUUOAMHSA-N 2 3 363.550 1.375 20 0 FDADHP O=C1N[C@@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000662281280 806389518 /nfs/dbraw/zinc/38/95/18/806389518.db2.gz METCOLBUBBNYQY-WOJBJXKFSA-N 2 3 369.513 1.052 20 0 FDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295261 806403371 /nfs/dbraw/zinc/40/33/71/806403371.db2.gz UTGFGHOXBIGEFS-SFHVURJKSA-N 2 3 350.551 1.687 20 0 FDADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000666620239 834340807 /nfs/dbraw/zinc/34/08/07/834340807.db2.gz PTABKSCTKIPTQD-LJQANCHMSA-N 2 3 350.551 1.772 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NCCC3CC[NH2+]CC3)CC2)CC1 ZINC000652142843 1016762524 /nfs/dbraw/zinc/76/25/24/1016762524.db2.gz FGUAYHZVTSOMFG-UHFFFAOYSA-N 2 3 351.539 1.234 20 0 FDADHP C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541905287 541295382 /nfs/dbraw/zinc/29/53/82/541295382.db2.gz VUQWCMBZPXFVHT-ROUUACIJSA-N 2 3 367.582 1.774 20 0 FDADHP C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541905287 541295384 /nfs/dbraw/zinc/29/53/84/541295384.db2.gz VUQWCMBZPXFVHT-ROUUACIJSA-N 2 3 367.582 1.774 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)CC1 ZINC000333907381 259391693 /nfs/dbraw/zinc/39/16/93/259391693.db2.gz CZWRRTMXOZMMSQ-QAQDUYKDSA-N 2 3 365.566 1.609 20 0 FDADHP C[NH+](C)[C@H]1CCCN(CC2(CN3CCC[C@H]([NH+](C)C)CC3)COC2)CC1 ZINC000365404314 568623203 /nfs/dbraw/zinc/62/32/03/568623203.db2.gz OYURYBMQFNQPKL-PMACEKPBSA-N 2 3 366.594 1.835 20 0 FDADHP O[C@H]1CC[N@H+](Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655750594 772552807 /nfs/dbraw/zinc/55/28/07/772552807.db2.gz CTNBMVLIXREGRP-VXKWHMMOSA-N 2 3 373.541 1.986 20 0 FDADHP O[C@H]1CC[N@@H+](Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655750594 772552809 /nfs/dbraw/zinc/55/28/09/772552809.db2.gz CTNBMVLIXREGRP-VXKWHMMOSA-N 2 3 373.541 1.986 20 0 FDADHP CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652363930 805297212 /nfs/dbraw/zinc/29/72/12/805297212.db2.gz SLOOHJHMIXULEN-AQNXPRMDSA-N 2 3 352.567 1.763 20 0 FDADHP CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652363930 805297222 /nfs/dbraw/zinc/29/72/22/805297222.db2.gz SLOOHJHMIXULEN-AQNXPRMDSA-N 2 3 352.567 1.763 20 0 FDADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000665638048 827620318 /nfs/dbraw/zinc/62/03/18/827620318.db2.gz XGZHGMOHSBVMGE-SFHVURJKSA-N 2 3 367.582 1.776 20 0 FDADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000665638048 827620324 /nfs/dbraw/zinc/62/03/24/827620324.db2.gz XGZHGMOHSBVMGE-SFHVURJKSA-N 2 3 367.582 1.776 20 0 FDADHP CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000601292012 553369959 /nfs/dbraw/zinc/36/99/59/553369959.db2.gz GJKUWNVWUDHWQR-SFHVURJKSA-N 2 3 365.566 1.717 20 0 FDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612973040 554866453 /nfs/dbraw/zinc/86/64/53/554866453.db2.gz BOTSJBBXZQBHTB-DLBZAZTESA-N 2 3 351.539 1.186 20 0 FDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612973040 554866455 /nfs/dbraw/zinc/86/64/55/554866455.db2.gz BOTSJBBXZQBHTB-DLBZAZTESA-N 2 3 351.539 1.186 20 0 FDADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000423173128 680782579 /nfs/dbraw/zinc/78/25/79/680782579.db2.gz XAUJUSXGONGRLX-RBUKOAKNSA-N 2 3 352.567 1.683 20 0 FDADHP C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000466936477 684835052 /nfs/dbraw/zinc/83/50/52/684835052.db2.gz RXBGMMIWKANTQJ-SJLPKXTDSA-N 2 3 353.555 1.384 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCC(C)(C)C[NH2+]3)CC2)CC1 ZINC000891461938 778065877 /nfs/dbraw/zinc/06/58/77/778065877.db2.gz NYYOXQCAAKFYRH-QGZVFWFLSA-N 2 3 365.566 1.622 20 0 FDADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335668 787782100 /nfs/dbraw/zinc/78/21/00/787782100.db2.gz YFPMNXQYVURAEK-OXQOHEQNSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335668 787782105 /nfs/dbraw/zinc/78/21/05/787782105.db2.gz YFPMNXQYVURAEK-OXQOHEQNSA-N 2 3 358.530 1.814 20 0 FDADHP CCOCCCN1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H](C)C1 ZINC000423518835 815109974 /nfs/dbraw/zinc/10/99/74/815109974.db2.gz PISRYSVFNBGSRO-UEKLYDJUSA-N 2 3 366.594 1.929 20 0 FDADHP [NH2+]=C(NC[C@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849073961 977303849 /nfs/dbraw/zinc/30/38/49/977303849.db2.gz RXPNPUPEPPNRHP-UXHICEINSA-N 2 3 371.529 1.628 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000073749265 522600943 /nfs/dbraw/zinc/60/09/43/522600943.db2.gz LHVYPPBOPQVTSN-GUDVDZBRSA-N 2 3 365.566 1.671 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000073749265 522600954 /nfs/dbraw/zinc/60/09/54/522600954.db2.gz LHVYPPBOPQVTSN-GUDVDZBRSA-N 2 3 365.566 1.671 20 0 FDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000073749265 522600967 /nfs/dbraw/zinc/60/09/67/522600967.db2.gz LHVYPPBOPQVTSN-GUDVDZBRSA-N 2 3 365.566 1.671 20 0 FDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000073749265 522600985 /nfs/dbraw/zinc/60/09/85/522600985.db2.gz LHVYPPBOPQVTSN-GUDVDZBRSA-N 2 3 365.566 1.671 20 0 FDADHP CC[NH+](C)C[C@@H]1CCN(CC2(CN3CC[C@@H](C[N@@H+](C)CC)C3)COC2)C1 ZINC000248413646 537179082 /nfs/dbraw/zinc/17/90/82/537179082.db2.gz GIZYAJJZIUACPE-PMACEKPBSA-N 2 3 366.594 1.550 20 0 FDADHP CC[NH+](C)C[C@@H]1CCN(CC2(CN3CC[C@@H](C[N@H+](C)CC)C3)COC2)C1 ZINC000248413646 537179084 /nfs/dbraw/zinc/17/90/84/537179084.db2.gz GIZYAJJZIUACPE-PMACEKPBSA-N 2 3 366.594 1.550 20 0 FDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652349380 805216851 /nfs/dbraw/zinc/21/68/51/805216851.db2.gz MPIJRWWRIASAEN-LNLFQRSKSA-N 2 3 366.550 1.194 20 0 FDADHP CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420328686 813617802 /nfs/dbraw/zinc/61/78/02/813617802.db2.gz MTEZUKUZFNSKLQ-SLFFLAALSA-N 2 3 358.530 1.727 20 0 FDADHP CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420328686 813617805 /nfs/dbraw/zinc/61/78/05/813617805.db2.gz MTEZUKUZFNSKLQ-SLFFLAALSA-N 2 3 358.530 1.727 20 0 FDADHP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000913832449 869732261 /nfs/dbraw/zinc/73/22/61/869732261.db2.gz UTNRMVVFACSZEX-SFHVURJKSA-N 2 3 374.595 1.008 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)NOC3CC[NH+](C)CC3)CC2)CC1 ZINC000848378367 976705278 /nfs/dbraw/zinc/70/52/78/976705278.db2.gz QAJWKWOARHFEED-UHFFFAOYSA-N 2 3 352.523 1.325 20 0 FDADHP C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541905288 541295398 /nfs/dbraw/zinc/29/53/98/541295398.db2.gz VUQWCMBZPXFVHT-ZWKOTPCHSA-N 2 3 367.582 1.774 20 0 FDADHP C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541905288 541295400 /nfs/dbraw/zinc/29/54/00/541295400.db2.gz VUQWCMBZPXFVHT-ZWKOTPCHSA-N 2 3 367.582 1.774 20 0 FDADHP CC[N@H+](C)C[C@H](O)CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563348849 546496996 /nfs/dbraw/zinc/49/69/96/546496996.db2.gz CRZAGCRDWLVVQP-FQEVSTJZSA-N 2 3 354.583 1.427 20 0 FDADHP CC[N@@H+](C)C[C@H](O)CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563348849 546496999 /nfs/dbraw/zinc/49/69/99/546496999.db2.gz CRZAGCRDWLVVQP-FQEVSTJZSA-N 2 3 354.583 1.427 20 0 FDADHP CCN(C)C[C@H](O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563348849 546497002 /nfs/dbraw/zinc/49/70/02/546497002.db2.gz CRZAGCRDWLVVQP-FQEVSTJZSA-N 2 3 354.583 1.427 20 0 FDADHP CCN(C)C[C@H](O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563348849 546497005 /nfs/dbraw/zinc/49/70/05/546497005.db2.gz CRZAGCRDWLVVQP-FQEVSTJZSA-N 2 3 354.583 1.427 20 0 FDADHP CCN1CCN(c2ccccc2C[NH2+]CC2(COC)CC[NH2+]CC2)CC1 ZINC000414972427 817819432 /nfs/dbraw/zinc/81/94/32/817819432.db2.gz KFGGLFODEPAKDA-UHFFFAOYSA-N 2 3 360.546 1.934 20 0 FDADHP C[NH+](C)CCOc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000666898617 841155982 /nfs/dbraw/zinc/15/59/82/841155982.db2.gz HTOOZWCZFUBBQE-QGZVFWFLSA-N 2 3 374.451 1.553 20 0 FDADHP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000176048345 174046829 /nfs/dbraw/zinc/04/68/29/174046829.db2.gz PGFMJPYUROUCKD-HKUYNNGSSA-N 2 3 365.566 1.717 20 0 FDADHP C[C@@H]1C[C@H](N(C)CC2(C[N@@H+](C)[C@H]3CCN(C)[C@@H](C)C3)COC2)CC[NH+]1C ZINC000182213005 526095887 /nfs/dbraw/zinc/09/58/87/526095887.db2.gz RCWASPKJFSBPRG-FGYAAKKASA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H](N(C)CC2(C[N@H+](C)[C@H]3CCN(C)[C@@H](C)C3)COC2)CC[NH+]1C ZINC000182213005 526095895 /nfs/dbraw/zinc/09/58/95/526095895.db2.gz RCWASPKJFSBPRG-FGYAAKKASA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H](N(C)CC2(C[NH+](C)[C@H]3CCN(C)[C@@H](C)C3)COC2)CC[N@@H+]1C ZINC000182213005 526095902 /nfs/dbraw/zinc/09/59/02/526095902.db2.gz RCWASPKJFSBPRG-FGYAAKKASA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H](N(C)CC2(C[NH+](C)[C@H]3CCN(C)[C@@H](C)C3)COC2)CC[N@H+]1C ZINC000182213005 526095911 /nfs/dbraw/zinc/09/59/11/526095911.db2.gz RCWASPKJFSBPRG-FGYAAKKASA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H]([N@H+](C)CC2(CN(C)[C@H]3CC[NH+](C)[C@@H](C)C3)COC2)CCN1C ZINC000182213005 526095914 /nfs/dbraw/zinc/09/59/14/526095914.db2.gz RCWASPKJFSBPRG-FGYAAKKASA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H]([N@@H+](C)CC2(CN(C)[C@H]3CC[NH+](C)[C@@H](C)C3)COC2)CCN1C ZINC000182213005 526095925 /nfs/dbraw/zinc/09/59/25/526095925.db2.gz RCWASPKJFSBPRG-FGYAAKKASA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CC2(CN(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)COC2)CCN1C ZINC000182213005 526095932 /nfs/dbraw/zinc/09/59/32/526095932.db2.gz RCWASPKJFSBPRG-FGYAAKKASA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CC2(CN(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)COC2)CCN1C ZINC000182213005 526095939 /nfs/dbraw/zinc/09/59/39/526095939.db2.gz RCWASPKJFSBPRG-FGYAAKKASA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000570271591 549219567 /nfs/dbraw/zinc/21/95/67/549219567.db2.gz BJMFQMUEYDCHRX-AHRSYUTCSA-N 2 3 358.530 1.862 20 0 FDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000570271591 549219571 /nfs/dbraw/zinc/21/95/71/549219571.db2.gz BJMFQMUEYDCHRX-AHRSYUTCSA-N 2 3 358.530 1.862 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)CC2)CC1 ZINC000891463694 778069409 /nfs/dbraw/zinc/06/94/09/778069409.db2.gz ZKHBUZJKIVHYKC-QGZVFWFLSA-N 2 3 365.566 1.622 20 0 FDADHP CN1CCN(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1(C)C ZINC000423095605 814961290 /nfs/dbraw/zinc/96/12/90/814961290.db2.gz FSMYIEWQIAYHFU-GHTZIAJQSA-N 2 3 358.530 1.858 20 0 FDADHP NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000904473077 851248914 /nfs/dbraw/zinc/24/89/14/851248914.db2.gz PIRFGJGHBUQLKS-MDYRTPRTSA-N 2 3 358.486 1.029 20 0 FDADHP O[C@H]1CC[N@H+](Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000658136929 883715338 /nfs/dbraw/zinc/71/53/38/883715338.db2.gz JIKGNIKKMRNQEJ-FCHUYYIVSA-N 2 3 373.541 1.986 20 0 FDADHP O[C@H]1CC[N@@H+](Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000658136929 883715348 /nfs/dbraw/zinc/71/53/48/883715348.db2.gz JIKGNIKKMRNQEJ-FCHUYYIVSA-N 2 3 373.541 1.986 20 0 FDADHP [NH2+]=C(NC[C@H]1CN2CCC[C@H]2CO1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849073960 977303433 /nfs/dbraw/zinc/30/34/33/977303433.db2.gz RXPNPUPEPPNRHP-PMACEKPBSA-N 2 3 371.529 1.628 20 0 FDADHP C[NH+]1CCC(CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])(N2CCCCC2)CC1 ZINC000872290206 987575194 /nfs/dbraw/zinc/57/51/94/987575194.db2.gz YAPKDAKPTLBQJB-MSOLQXFVSA-N 2 3 350.551 1.961 20 0 FDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000360870579 988186766 /nfs/dbraw/zinc/18/67/66/988186766.db2.gz IDHXSCIVFQEFDV-PWRODBHTSA-N 2 3 366.594 1.883 20 0 FDADHP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000926594922 996228886 /nfs/dbraw/zinc/22/88/86/996228886.db2.gz KUCGMNZJHBGWAO-WCRBZPEASA-N 2 3 370.541 1.814 20 0 FDADHP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000926594922 996228892 /nfs/dbraw/zinc/22/88/92/996228892.db2.gz KUCGMNZJHBGWAO-WCRBZPEASA-N 2 3 370.541 1.814 20 0 FDADHP CN(CCN1CC[NH2+]CC1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000647492638 1009687094 /nfs/dbraw/zinc/68/70/94/1009687094.db2.gz PAYDDNZWBRBXDS-UHFFFAOYSA-N 2 3 359.562 1.554 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000374080465 261075171 /nfs/dbraw/zinc/07/51/71/261075171.db2.gz RPDCKTCNHPUGLB-GBESFXJTSA-N 2 3 365.566 1.671 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000374080465 261075172 /nfs/dbraw/zinc/07/51/72/261075172.db2.gz RPDCKTCNHPUGLB-GBESFXJTSA-N 2 3 365.566 1.671 20 0 FDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374080465 261075175 /nfs/dbraw/zinc/07/51/75/261075175.db2.gz RPDCKTCNHPUGLB-GBESFXJTSA-N 2 3 365.566 1.671 20 0 FDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374080465 261075176 /nfs/dbraw/zinc/07/51/76/261075176.db2.gz RPDCKTCNHPUGLB-GBESFXJTSA-N 2 3 365.566 1.671 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418760019 537762405 /nfs/dbraw/zinc/76/24/05/537762405.db2.gz AIAVBECEHVONCS-WJFTUGDTSA-N 2 3 365.566 1.432 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418760019 537762409 /nfs/dbraw/zinc/76/24/09/537762409.db2.gz AIAVBECEHVONCS-WJFTUGDTSA-N 2 3 365.566 1.432 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]([NH+](C)C)[C@@H]3C)CC2)CC1 ZINC000615303624 555189439 /nfs/dbraw/zinc/18/94/39/555189439.db2.gz UDEBIYSHHPGSGA-QFBILLFUSA-N 2 3 350.551 1.734 20 0 FDADHP C[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CN1C1CC1 ZINC000441386412 682074093 /nfs/dbraw/zinc/07/40/93/682074093.db2.gz OMTHJGMNTXHKGG-SJORKVTESA-N 2 3 353.555 1.527 20 0 FDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649418198 1010336753 /nfs/dbraw/zinc/33/67/53/1010336753.db2.gz GOHPZFQPLMRSCL-QZTJIDSGSA-N 2 3 350.551 1.687 20 0 FDADHP CC1CC[NH+](C2CCC([NH2+]C[C@H]3CCCN(C(=O)CN)C3)CC2)CC1 ZINC000333152678 259316452 /nfs/dbraw/zinc/31/64/52/259316452.db2.gz MPNRTCJOBMHRHU-LMDPOFIKSA-N 2 3 350.551 1.816 20 0 FDADHP C[NH+]1CCC[C@@H]2CN(CC(O)CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000248744123 537210764 /nfs/dbraw/zinc/21/07/64/537210764.db2.gz RIZJZSKKHVAEBO-VURPSTOHSA-N 2 3 364.578 1.180 20 0 FDADHP C[NH+]1CCC[C@@H]2CN(CC(O)CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000248744123 537210765 /nfs/dbraw/zinc/21/07/65/537210765.db2.gz RIZJZSKKHVAEBO-VURPSTOHSA-N 2 3 364.578 1.180 20 0 FDADHP C[C@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CN1C1CC1 ZINC000441386407 682074556 /nfs/dbraw/zinc/07/45/56/682074556.db2.gz OMTHJGMNTXHKGG-DLBZAZTESA-N 2 3 353.555 1.527 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000466026129 684801699 /nfs/dbraw/zinc/80/16/99/684801699.db2.gz MPJVENRWHVQGHJ-FUHWJXTLSA-N 2 3 351.539 1.281 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000466026129 684801701 /nfs/dbraw/zinc/80/17/01/684801701.db2.gz MPJVENRWHVQGHJ-FUHWJXTLSA-N 2 3 351.539 1.281 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C[C@H]1C[NH+](C)C ZINC000892792679 791242477 /nfs/dbraw/zinc/24/24/77/791242477.db2.gz RCGBDBQVLHUXAA-AQNXPRMDSA-N 2 3 373.545 1.082 20 0 FDADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652350051 805248674 /nfs/dbraw/zinc/24/86/74/805248674.db2.gz BWTUNWZBDVDATP-ZCNNSNEGSA-N 2 3 352.567 1.621 20 0 FDADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652350051 805248680 /nfs/dbraw/zinc/24/86/80/805248680.db2.gz BWTUNWZBDVDATP-ZCNNSNEGSA-N 2 3 352.567 1.621 20 0 FDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000530900553 540065687 /nfs/dbraw/zinc/06/56/87/540065687.db2.gz HBOCSNSVNSPAON-UHFFFAOYSA-N 2 3 353.555 1.528 20 0 FDADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156917251 524173224 /nfs/dbraw/zinc/17/32/24/524173224.db2.gz OHUSLMUPEYKXIZ-UXPWSPDFSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156917251 524173231 /nfs/dbraw/zinc/17/32/31/524173231.db2.gz OHUSLMUPEYKXIZ-UXPWSPDFSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[NH+](C)CC[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156917251 524173238 /nfs/dbraw/zinc/17/32/38/524173238.db2.gz OHUSLMUPEYKXIZ-UXPWSPDFSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[NH+](C)CC[C@@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156917251 524173250 /nfs/dbraw/zinc/17/32/50/524173250.db2.gz OHUSLMUPEYKXIZ-UXPWSPDFSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[C@@H]([N@H+](C)CC2(CN(C)[C@@H]3CC[NH+](C)[C@H](C)C3)COC2)CCN1C ZINC000182212984 526097104 /nfs/dbraw/zinc/09/71/04/526097104.db2.gz RCWASPKJFSBPRG-WTGUMLROSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@@H]([N@@H+](C)CC2(CN(C)[C@@H]3CC[NH+](C)[C@H](C)C3)COC2)CCN1C ZINC000182212984 526097112 /nfs/dbraw/zinc/09/71/12/526097112.db2.gz RCWASPKJFSBPRG-WTGUMLROSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@@H]([NH+](C)CC2(CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)COC2)CCN1C ZINC000182212984 526097120 /nfs/dbraw/zinc/09/71/20/526097120.db2.gz RCWASPKJFSBPRG-WTGUMLROSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@@H]([NH+](C)CC2(CN(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)COC2)CCN1C ZINC000182212984 526097125 /nfs/dbraw/zinc/09/71/25/526097125.db2.gz RCWASPKJFSBPRG-WTGUMLROSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H]([N@H+](C)CC2(CN(C)[C@H]3CC[NH+](C)[C@H](C)C3)COC2)CCN1C ZINC000182212984 526097132 /nfs/dbraw/zinc/09/71/32/526097132.db2.gz RCWASPKJFSBPRG-WTGUMLROSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H]([N@@H+](C)CC2(CN(C)[C@H]3CC[NH+](C)[C@H](C)C3)COC2)CCN1C ZINC000182212984 526097137 /nfs/dbraw/zinc/09/71/37/526097137.db2.gz RCWASPKJFSBPRG-WTGUMLROSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CC2(CN(C)[C@H]3CC[N@H+](C)[C@H](C)C3)COC2)CCN1C ZINC000182212984 526097140 /nfs/dbraw/zinc/09/71/40/526097140.db2.gz RCWASPKJFSBPRG-WTGUMLROSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CC2(CN(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)COC2)CCN1C ZINC000182212984 526097149 /nfs/dbraw/zinc/09/71/49/526097149.db2.gz RCWASPKJFSBPRG-WTGUMLROSA-N 2 3 366.594 1.832 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418760015 537762739 /nfs/dbraw/zinc/76/27/39/537762739.db2.gz AIAVBECEHVONCS-INDMIFKZSA-N 2 3 365.566 1.432 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418760015 537762745 /nfs/dbraw/zinc/76/27/45/537762745.db2.gz AIAVBECEHVONCS-INDMIFKZSA-N 2 3 365.566 1.432 20 0 FDADHP [NH3+]C1CCN(CCCC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000433136128 538202549 /nfs/dbraw/zinc/20/25/49/538202549.db2.gz KRXNSEOVAOMITD-FQEVSTJZSA-N 2 3 358.530 1.971 20 0 FDADHP [NH3+]C1CCN(CCCC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000433136128 538202553 /nfs/dbraw/zinc/20/25/53/538202553.db2.gz KRXNSEOVAOMITD-FQEVSTJZSA-N 2 3 358.530 1.971 20 0 FDADHP CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000262089489 837422683 /nfs/dbraw/zinc/42/26/83/837422683.db2.gz GTQPAHFSEXPZGH-NRFANRHFSA-N 2 3 371.573 1.698 20 0 FDADHP CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000262089489 837422691 /nfs/dbraw/zinc/42/26/91/837422691.db2.gz GTQPAHFSEXPZGH-NRFANRHFSA-N 2 3 371.573 1.698 20 0 FDADHP NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000904473084 851248692 /nfs/dbraw/zinc/24/86/92/851248692.db2.gz PIRFGJGHBUQLKS-WRWLIDTKSA-N 2 3 358.486 1.029 20 0 FDADHP CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000470015958 993932205 /nfs/dbraw/zinc/93/22/05/993932205.db2.gz CNOBMTZWMMKGQY-IBGZPJMESA-N 2 3 373.545 1.115 20 0 FDADHP CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000470015958 993932212 /nfs/dbraw/zinc/93/22/12/993932212.db2.gz CNOBMTZWMMKGQY-IBGZPJMESA-N 2 3 373.545 1.115 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000374000601 261063018 /nfs/dbraw/zinc/06/30/18/261063018.db2.gz FLWZUCDUAKVPTE-IEBWSBKVSA-N 2 3 363.550 1.471 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000374000601 261063019 /nfs/dbraw/zinc/06/30/19/261063019.db2.gz FLWZUCDUAKVPTE-IEBWSBKVSA-N 2 3 363.550 1.471 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CCOCC[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000178717769 525468251 /nfs/dbraw/zinc/46/82/51/525468251.db2.gz ZXNJEJMFDYDUKX-WTGUMLROSA-N 2 3 354.583 1.832 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CCOCC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000178717769 525468260 /nfs/dbraw/zinc/46/82/60/525468260.db2.gz ZXNJEJMFDYDUKX-WTGUMLROSA-N 2 3 354.583 1.832 20 0 FDADHP C[C@@H]1C[C@H]([N@@H+](C)CCOCC[NH+](C)[C@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000178717769 525468270 /nfs/dbraw/zinc/46/82/70/525468270.db2.gz ZXNJEJMFDYDUKX-WTGUMLROSA-N 2 3 354.583 1.832 20 0 FDADHP C[C@@H]1C[C@H]([N@H+](C)CCOCC[NH+](C)[C@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000178717769 525468283 /nfs/dbraw/zinc/46/82/83/525468283.db2.gz ZXNJEJMFDYDUKX-WTGUMLROSA-N 2 3 354.583 1.832 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247199316 537093059 /nfs/dbraw/zinc/09/30/59/537093059.db2.gz WYWAYSIPKMDJKN-GUDVDZBRSA-N 2 3 367.582 1.917 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247199316 537093062 /nfs/dbraw/zinc/09/30/62/537093062.db2.gz WYWAYSIPKMDJKN-GUDVDZBRSA-N 2 3 367.582 1.917 20 0 FDADHP CCCN1CCN(c2ccccc2C[NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000414786064 537913668 /nfs/dbraw/zinc/91/36/68/537913668.db2.gz WOFWVNGKGBAVFP-UHFFFAOYSA-N 2 3 359.562 1.604 20 0 FDADHP NC[C@H](C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000424307318 538277624 /nfs/dbraw/zinc/27/76/24/538277624.db2.gz XJKDNKWQEYOHNR-SZVBFZGTSA-N 2 3 362.493 1.448 20 0 FDADHP NC[C@H](C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000424307318 538277630 /nfs/dbraw/zinc/27/76/30/538277630.db2.gz XJKDNKWQEYOHNR-SZVBFZGTSA-N 2 3 362.493 1.448 20 0 FDADHP CCOC(=O)C1([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)CC[NH2+]CC1 ZINC000602023575 553502675 /nfs/dbraw/zinc/50/26/75/553502675.db2.gz ZRCLBRKFPHXGPR-HNNXBMFYSA-N 2 3 361.490 1.225 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000377032293 678431292 /nfs/dbraw/zinc/43/12/92/678431292.db2.gz QGOXJKNTCNUOBV-VAMGGRTRSA-N 2 3 351.583 1.808 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000377032293 678431295 /nfs/dbraw/zinc/43/12/95/678431295.db2.gz QGOXJKNTCNUOBV-VAMGGRTRSA-N 2 3 351.583 1.808 20 0 FDADHP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C[NH3+])CC1 ZINC000430648542 777943754 /nfs/dbraw/zinc/94/37/54/777943754.db2.gz RFGIUAHCZWRFQU-QGZVFWFLSA-N 2 3 358.530 1.826 20 0 FDADHP C[NH+]1CCC[C@@H]2CN(C[C@@H](O)CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000248744117 537210435 /nfs/dbraw/zinc/21/04/35/537210435.db2.gz RIZJZSKKHVAEBO-FDKIHUSFSA-N 2 3 364.578 1.180 20 0 FDADHP C[NH+]1CCC[C@@H]2CN(C[C@@H](O)CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000248744117 537210436 /nfs/dbraw/zinc/21/04/36/537210436.db2.gz RIZJZSKKHVAEBO-FDKIHUSFSA-N 2 3 364.578 1.180 20 0 FDADHP C[NH+]1CCC[C@H]2CN(C[C@H](O)CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000248744117 537210437 /nfs/dbraw/zinc/21/04/37/537210437.db2.gz RIZJZSKKHVAEBO-FDKIHUSFSA-N 2 3 364.578 1.180 20 0 FDADHP C[NH+]1CCC[C@H]2CN(C[C@H](O)CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000248744117 537210438 /nfs/dbraw/zinc/21/04/38/537210438.db2.gz RIZJZSKKHVAEBO-FDKIHUSFSA-N 2 3 364.578 1.180 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2NCCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000892112637 781576206 /nfs/dbraw/zinc/57/62/06/781576206.db2.gz LNOPGYWJXUXIPH-QWFCFKBJSA-N 2 3 373.545 1.254 20 0 FDADHP CN(CCNC(=O)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000515386741 816227761 /nfs/dbraw/zinc/22/77/61/816227761.db2.gz SCWPOXVIMKHQSS-IBGZPJMESA-N 2 3 372.557 1.946 20 0 FDADHP CC(C)[NH+]1CCC(N(C)CC(O)CN(C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000447344721 828719526 /nfs/dbraw/zinc/71/95/26/828719526.db2.gz CHCRCTSFGXXAHD-UHFFFAOYSA-N 2 3 368.610 1.957 20 0 FDADHP CC(C)N1CCC([N@H+](C)CC(O)CN(C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000447344721 828719528 /nfs/dbraw/zinc/71/95/28/828719528.db2.gz CHCRCTSFGXXAHD-UHFFFAOYSA-N 2 3 368.610 1.957 20 0 FDADHP CC(C)N1CCC([N@@H+](C)CC(O)CN(C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000447344721 828719529 /nfs/dbraw/zinc/71/95/29/828719529.db2.gz CHCRCTSFGXXAHD-UHFFFAOYSA-N 2 3 368.610 1.957 20 0 FDADHP C[NH+](C)CC1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000523309095 828172767 /nfs/dbraw/zinc/17/27/67/828172767.db2.gz JSXQAOAFYHCQHG-UHFFFAOYSA-N 2 3 365.566 1.528 20 0 FDADHP CN1CCC([NH+]2CCC(NC[C@H](O)C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000644533084 1013785312 /nfs/dbraw/zinc/78/53/12/1013785312.db2.gz MCIKZKYWLSEZLH-QFIPXVFZSA-N 2 3 374.573 1.628 20 0 FDADHP CN1CCC([NH+]2CCC(NC[C@H](O)C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000644533084 1013785320 /nfs/dbraw/zinc/78/53/20/1013785320.db2.gz MCIKZKYWLSEZLH-QFIPXVFZSA-N 2 3 374.573 1.628 20 0 FDADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875713098 991930754 /nfs/dbraw/zinc/93/07/54/991930754.db2.gz KCJPTHWRPAHSCH-SFHVURJKSA-N 2 3 367.582 1.776 20 0 FDADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875713098 991930756 /nfs/dbraw/zinc/93/07/56/991930756.db2.gz KCJPTHWRPAHSCH-SFHVURJKSA-N 2 3 367.582 1.776 20 0 FDADHP C[NH+]1CCC(CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)(N2CCOCC2)CC1 ZINC000925687132 995725706 /nfs/dbraw/zinc/72/57/06/995725706.db2.gz YZRCQBYEUXKALL-FGTMMUONSA-N 2 3 350.551 1.149 20 0 FDADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000524904525 539670647 /nfs/dbraw/zinc/67/06/47/539670647.db2.gz PBEMPAXIXADGKF-HDICACEKSA-N 2 3 355.571 1.489 20 0 FDADHP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000524904525 539670648 /nfs/dbraw/zinc/67/06/48/539670648.db2.gz PBEMPAXIXADGKF-HDICACEKSA-N 2 3 355.571 1.489 20 0 FDADHP CC(C)N1CCN(CCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243650 539919213 /nfs/dbraw/zinc/91/92/13/539919213.db2.gz YOAFOYIZEVEEAF-HXUWFJFHSA-N 2 3 352.567 1.493 20 0 FDADHP CC1CC[NH+](C2CCC([NH2+]C[C@@H]3CCCN(C(=O)CN)C3)CC2)CC1 ZINC000333152688 259316030 /nfs/dbraw/zinc/31/60/30/259316030.db2.gz MPNRTCJOBMHRHU-VIQWUECVSA-N 2 3 350.551 1.816 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000374080467 261075435 /nfs/dbraw/zinc/07/54/35/261075435.db2.gz RPDCKTCNHPUGLB-IPMKNSEASA-N 2 3 365.566 1.671 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000374080467 261075437 /nfs/dbraw/zinc/07/54/37/261075437.db2.gz RPDCKTCNHPUGLB-IPMKNSEASA-N 2 3 365.566 1.671 20 0 FDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374080467 261075438 /nfs/dbraw/zinc/07/54/38/261075438.db2.gz RPDCKTCNHPUGLB-IPMKNSEASA-N 2 3 365.566 1.671 20 0 FDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374080467 261075440 /nfs/dbraw/zinc/07/54/40/261075440.db2.gz RPDCKTCNHPUGLB-IPMKNSEASA-N 2 3 365.566 1.671 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000074085981 522671787 /nfs/dbraw/zinc/67/17/87/522671787.db2.gz WECBCKIPUCWMBY-LJQANCHMSA-N 2 3 367.582 1.776 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000074085981 522671798 /nfs/dbraw/zinc/67/17/98/522671798.db2.gz WECBCKIPUCWMBY-LJQANCHMSA-N 2 3 367.582 1.776 20 0 FDADHP C[C@H]1CC2(C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C)CC[NH2+]CC2 ZINC000424301899 538275926 /nfs/dbraw/zinc/27/59/26/538275926.db2.gz YDZQCEULQVTEFT-PKOBYXMFSA-N 2 3 358.530 1.870 20 0 FDADHP C[C@H]1CC2(C[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C)CC[NH2+]CC2 ZINC000424301899 538275930 /nfs/dbraw/zinc/27/59/30/538275930.db2.gz YDZQCEULQVTEFT-PKOBYXMFSA-N 2 3 358.530 1.870 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCC(C)(C)C[NH2+]3)CC2)CC1 ZINC000891461935 778065920 /nfs/dbraw/zinc/06/59/20/778065920.db2.gz NYYOXQCAAKFYRH-KRWDZBQOSA-N 2 3 365.566 1.622 20 0 FDADHP C[N@@H+]1CC[C@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC[C@@H]21 ZINC000868211615 977347781 /nfs/dbraw/zinc/34/77/81/977347781.db2.gz LREHXPVUYIYSRU-LPHOPBHVSA-N 2 3 363.550 1.281 20 0 FDADHP C[N@H+]1CC[C@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC[C@@H]21 ZINC000868211615 977347791 /nfs/dbraw/zinc/34/77/91/977347791.db2.gz LREHXPVUYIYSRU-LPHOPBHVSA-N 2 3 363.550 1.281 20 0 FDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649418199 1010336287 /nfs/dbraw/zinc/33/62/87/1010336287.db2.gz GOHPZFQPLMRSCL-ROUUACIJSA-N 2 3 350.551 1.687 20 0 FDADHP CC(C)N1CCN(CCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000191522689 537207601 /nfs/dbraw/zinc/20/76/01/537207601.db2.gz DMWMHKCQEPCNLZ-UHFFFAOYSA-N 2 3 366.594 1.979 20 0 FDADHP CCN(CCC[NH+](C)C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000565193312 547246147 /nfs/dbraw/zinc/24/61/47/547246147.db2.gz YTXCIHKYWDLLBL-UHFFFAOYSA-N 2 3 352.567 1.983 20 0 FDADHP CC[NH+]1CCN(CCCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655688702 772322941 /nfs/dbraw/zinc/32/29/41/772322941.db2.gz BKJARXXSMJPSIT-FQEVSTJZSA-N 2 3 352.567 1.637 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000516661234 816940613 /nfs/dbraw/zinc/94/06/13/816940613.db2.gz MNJHTSTWRAUXBE-XLIONFOSSA-N 2 3 364.578 1.981 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000516661234 816940617 /nfs/dbraw/zinc/94/06/17/816940617.db2.gz MNJHTSTWRAUXBE-XLIONFOSSA-N 2 3 364.578 1.981 20 0 FDADHP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)(N2CCCCC2)CC1 ZINC000646094600 1015131827 /nfs/dbraw/zinc/13/18/27/1015131827.db2.gz GGFKYNPWNDKQTQ-RBUKOAKNSA-N 2 3 362.562 1.689 20 0 FDADHP C[NH+](C)[C@@H]1[C@H]2CN(CC(CN3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)c3ccccc3)C[C@H]21 ZINC000931277263 1004019218 /nfs/dbraw/zinc/01/92/18/1004019218.db2.gz NHGKJAXBRYZOPZ-FGGOGHJKSA-N 2 3 368.569 1.754 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)CC2)CC1 ZINC000848103447 976323890 /nfs/dbraw/zinc/32/38/90/976323890.db2.gz MUODHTIPAMGNIS-RBUKOAKNSA-N 2 3 362.562 1.593 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)CC2)CC1 ZINC000848103447 976323903 /nfs/dbraw/zinc/32/39/03/976323903.db2.gz MUODHTIPAMGNIS-RBUKOAKNSA-N 2 3 362.562 1.593 20 0 FDADHP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CC[NH2+]CC1 ZINC000591566814 551880111 /nfs/dbraw/zinc/88/01/11/551880111.db2.gz UTVDRLQAKOJBPH-SJORKVTESA-N 2 3 366.550 1.066 20 0 FDADHP CNc1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000656211943 774297291 /nfs/dbraw/zinc/29/72/91/774297291.db2.gz SSRLQQLWXROORQ-VLRMEEEOSA-N 2 3 362.526 1.418 20 0 FDADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)C1 ZINC000873232705 988663324 /nfs/dbraw/zinc/66/33/24/988663324.db2.gz XFPBMPCZOJOGMO-YQVWRLOYSA-N 2 3 350.551 1.803 20 0 FDADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)C1 ZINC000873232705 988663331 /nfs/dbraw/zinc/66/33/31/988663331.db2.gz XFPBMPCZOJOGMO-YQVWRLOYSA-N 2 3 350.551 1.803 20 0 FDADHP CC[N@H+](C)C[C@@H](O)CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563348850 546496575 /nfs/dbraw/zinc/49/65/75/546496575.db2.gz CRZAGCRDWLVVQP-HXUWFJFHSA-N 2 3 354.583 1.427 20 0 FDADHP CC[N@@H+](C)C[C@@H](O)CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563348850 546496580 /nfs/dbraw/zinc/49/65/80/546496580.db2.gz CRZAGCRDWLVVQP-HXUWFJFHSA-N 2 3 354.583 1.427 20 0 FDADHP CCN(C)C[C@@H](O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563348850 546496585 /nfs/dbraw/zinc/49/65/85/546496585.db2.gz CRZAGCRDWLVVQP-HXUWFJFHSA-N 2 3 354.583 1.427 20 0 FDADHP CCN(C)C[C@@H](O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563348850 546496587 /nfs/dbraw/zinc/49/65/87/546496587.db2.gz CRZAGCRDWLVVQP-HXUWFJFHSA-N 2 3 354.583 1.427 20 0 FDADHP CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420328688 813617865 /nfs/dbraw/zinc/61/78/65/813617865.db2.gz MTEZUKUZFNSKLQ-VAMGGRTRSA-N 2 3 358.530 1.727 20 0 FDADHP CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420328688 813617869 /nfs/dbraw/zinc/61/78/69/813617869.db2.gz MTEZUKUZFNSKLQ-VAMGGRTRSA-N 2 3 358.530 1.727 20 0 FDADHP [NH3+]CC[C@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000443066949 821355116 /nfs/dbraw/zinc/35/51/16/821355116.db2.gz GDHVRBNYJWFAGH-LJQANCHMSA-N 2 3 358.530 1.959 20 0 FDADHP c1cc(N2CC[NH2+]CC2)oc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000904388082 851191816 /nfs/dbraw/zinc/19/18/16/851191816.db2.gz BHWBXQJJVBBMTI-HDICACEKSA-N 2 3 359.518 1.090 20 0 FDADHP NCC(=O)N1CCC[C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000904473082 851248236 /nfs/dbraw/zinc/24/82/36/851248236.db2.gz PIRFGJGHBUQLKS-OXFYSEKESA-N 2 3 358.486 1.029 20 0 FDADHP O[C@H]1CC[N@H+](Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000658136935 883716020 /nfs/dbraw/zinc/71/60/20/883716020.db2.gz JIKGNIKKMRNQEJ-VXKWHMMOSA-N 2 3 373.541 1.986 20 0 FDADHP O[C@H]1CC[N@@H+](Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000658136935 883716030 /nfs/dbraw/zinc/71/60/30/883716030.db2.gz JIKGNIKKMRNQEJ-VXKWHMMOSA-N 2 3 373.541 1.986 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000654528993 905129600 /nfs/dbraw/zinc/12/96/00/905129600.db2.gz ASXBABHGWFPKEF-ICSRJNTNSA-N 2 3 362.562 1.926 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000654528993 905129609 /nfs/dbraw/zinc/12/96/09/905129609.db2.gz ASXBABHGWFPKEF-ICSRJNTNSA-N 2 3 362.562 1.926 20 0 FDADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000414715194 679364846 /nfs/dbraw/zinc/36/48/46/679364846.db2.gz YHOGLPZHAKVGPO-LJQANCHMSA-N 2 3 350.551 1.772 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)CC2)CC1 ZINC000891463693 778069686 /nfs/dbraw/zinc/06/96/86/778069686.db2.gz ZKHBUZJKIVHYKC-KRWDZBQOSA-N 2 3 365.566 1.622 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3CN2)C[C@H]1C[NH+](C)C ZINC000892792680 791242397 /nfs/dbraw/zinc/24/23/97/791242397.db2.gz RCGBDBQVLHUXAA-VAMGGRTRSA-N 2 3 373.545 1.082 20 0 FDADHP O=C1N[C@@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000662281278 806389271 /nfs/dbraw/zinc/38/92/71/806389271.db2.gz METCOLBUBBNYQY-UXHICEINSA-N 2 3 369.513 1.052 20 0 FDADHP CCN1CCN(c2ccccc2C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000441355697 819319389 /nfs/dbraw/zinc/31/93/89/819319389.db2.gz YZZRAGGESCPEII-UHFFFAOYSA-N 2 3 373.589 1.944 20 0 FDADHP CCN1CCN(c2ccccc2C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000441355697 819319401 /nfs/dbraw/zinc/31/94/01/819319401.db2.gz YZZRAGGESCPEII-UHFFFAOYSA-N 2 3 373.589 1.944 20 0 FDADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000666620238 834340210 /nfs/dbraw/zinc/34/02/10/834340210.db2.gz PTABKSCTKIPTQD-IBGZPJMESA-N 2 3 350.551 1.772 20 0 FDADHP Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923483118 889430629 /nfs/dbraw/zinc/43/06/29/889430629.db2.gz LKCLFVFRNGKKQE-LJQANCHMSA-N 2 3 358.530 1.700 20 0 FDADHP Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923483118 889430633 /nfs/dbraw/zinc/43/06/33/889430633.db2.gz LKCLFVFRNGKKQE-LJQANCHMSA-N 2 3 358.530 1.700 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000875710876 991928313 /nfs/dbraw/zinc/92/83/13/991928313.db2.gz SFHNGROYGKXHPS-ZACQAIPSSA-N 2 3 353.555 1.240 20 0 FDADHP O=C1O[C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC12CC[NH2+]CC2 ZINC000925849862 995795514 /nfs/dbraw/zinc/79/55/14/995795514.db2.gz RCAAPFSSODUVHK-XPIZARPCSA-N 2 3 371.481 1.517 20 0 FDADHP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000176048327 174046648 /nfs/dbraw/zinc/04/66/48/174046648.db2.gz PGFMJPYUROUCKD-MJGOQNOKSA-N 2 3 365.566 1.717 20 0 FDADHP O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1)[C@H]1CCC[NH2+]1 ZINC000570286395 549226508 /nfs/dbraw/zinc/22/65/08/549226508.db2.gz SRFJTWBMKZGGNJ-YLJYHZDGSA-N 2 3 356.514 1.413 20 0 FDADHP Cc1nc(NC[C@H]2CC[NH+](C3CC3)C2)cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000578212770 550740094 /nfs/dbraw/zinc/74/00/94/550740094.db2.gz UDXKEMMVMVZSQP-CALCHBBNSA-N 2 3 370.545 2.577 20 0 FDADHP Cc1nc(NC[C@H]2CC[NH+](C3CC3)C2)cc(NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000578212770 550740096 /nfs/dbraw/zinc/74/00/96/550740096.db2.gz UDXKEMMVMVZSQP-CALCHBBNSA-N 2 3 370.545 2.577 20 0 FDADHP Cc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)cc(NC[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000578212770 550740098 /nfs/dbraw/zinc/74/00/98/550740098.db2.gz UDXKEMMVMVZSQP-CALCHBBNSA-N 2 3 370.545 2.577 20 0 FDADHP Cc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)cc(NC[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000578212770 550740100 /nfs/dbraw/zinc/74/01/00/550740100.db2.gz UDXKEMMVMVZSQP-CALCHBBNSA-N 2 3 370.545 2.577 20 0 FDADHP C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000466936476 684834815 /nfs/dbraw/zinc/83/48/15/684834815.db2.gz RXBGMMIWKANTQJ-FUHWJXTLSA-N 2 3 353.555 1.384 20 0 FDADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482620117 848437046 /nfs/dbraw/zinc/43/70/46/848437046.db2.gz OHUSLMUPEYKXIZ-AHRSYUTCSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482620117 848437052 /nfs/dbraw/zinc/43/70/52/848437052.db2.gz OHUSLMUPEYKXIZ-AHRSYUTCSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[NH+](C)CC[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482620117 848437053 /nfs/dbraw/zinc/43/70/53/848437053.db2.gz OHUSLMUPEYKXIZ-AHRSYUTCSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[NH+](C)CC[C@@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482620117 848437062 /nfs/dbraw/zinc/43/70/62/848437062.db2.gz OHUSLMUPEYKXIZ-AHRSYUTCSA-N 2 3 358.530 1.814 20 0 FDADHP [NH2+]=C(NC[C@H]1CCCN1CCCO)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849112976 977324169 /nfs/dbraw/zinc/32/41/69/977324169.db2.gz GZRUWGDJKWNDOX-HXUWFJFHSA-N 2 3 373.545 1.612 20 0 FDADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875712514 991930566 /nfs/dbraw/zinc/93/05/66/991930566.db2.gz FWISRKWIDZUXRG-MUYFXNHWSA-N 2 3 355.571 1.821 20 0 FDADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875712514 991930568 /nfs/dbraw/zinc/93/05/68/991930568.db2.gz FWISRKWIDZUXRG-MUYFXNHWSA-N 2 3 355.571 1.821 20 0 FDADHP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000154007377 525391247 /nfs/dbraw/zinc/39/12/47/525391247.db2.gz YYNMJZNLGCXXFB-HDICACEKSA-N 2 3 369.598 1.878 20 0 FDADHP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000154007377 525391252 /nfs/dbraw/zinc/39/12/52/525391252.db2.gz YYNMJZNLGCXXFB-HDICACEKSA-N 2 3 369.598 1.878 20 0 FDADHP CC[NH+](C)C[C@H]1CCN(CC2(CN3CC[C@H](C[N@@H+](C)CC)C3)COC2)C1 ZINC000182215462 526098011 /nfs/dbraw/zinc/09/80/11/526098011.db2.gz GIZYAJJZIUACPE-WOJBJXKFSA-N 2 3 366.594 1.550 20 0 FDADHP CC[NH+](C)C[C@H]1CCN(CC2(CN3CC[C@H](C[N@H+](C)CC)C3)COC2)C1 ZINC000182215462 526098017 /nfs/dbraw/zinc/09/80/17/526098017.db2.gz GIZYAJJZIUACPE-WOJBJXKFSA-N 2 3 366.594 1.550 20 0 FDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627132313 557283802 /nfs/dbraw/zinc/28/38/02/557283802.db2.gz GMPMRTGNXXYIEN-DLBZAZTESA-N 2 3 351.539 1.329 20 0 FDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627132313 557283804 /nfs/dbraw/zinc/28/38/04/557283804.db2.gz GMPMRTGNXXYIEN-DLBZAZTESA-N 2 3 351.539 1.329 20 0 FDADHP C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000466936475 684834708 /nfs/dbraw/zinc/83/47/08/684834708.db2.gz RXBGMMIWKANTQJ-AEFFLSMTSA-N 2 3 353.555 1.384 20 0 FDADHP C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC[C@H]21 ZINC000868211621 977348185 /nfs/dbraw/zinc/34/81/85/977348185.db2.gz LREHXPVUYIYSRU-VQIMIIECSA-N 2 3 363.550 1.281 20 0 FDADHP C[N@H+]1CC[C@@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC[C@H]21 ZINC000868211621 977348190 /nfs/dbraw/zinc/34/81/90/977348190.db2.gz LREHXPVUYIYSRU-VQIMIIECSA-N 2 3 363.550 1.281 20 0 FDADHP CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878337531 993912685 /nfs/dbraw/zinc/91/26/85/993912685.db2.gz MSFIPIIHOHDOQO-UHFFFAOYSA-N 2 3 373.545 1.830 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418760017 537762279 /nfs/dbraw/zinc/76/22/79/537762279.db2.gz AIAVBECEHVONCS-NCXUSEDFSA-N 2 3 365.566 1.432 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418760017 537762281 /nfs/dbraw/zinc/76/22/81/537762281.db2.gz AIAVBECEHVONCS-NCXUSEDFSA-N 2 3 365.566 1.432 20 0 FDADHP O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000583696293 551389222 /nfs/dbraw/zinc/38/92/22/551389222.db2.gz MVYSDOQHKCUMPE-OYRHEFFESA-N 2 3 370.541 1.830 20 0 FDADHP CC(C)[NH2+]C1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000601292242 553370002 /nfs/dbraw/zinc/37/00/02/553370002.db2.gz IVZXHOZBJRDTIP-UHFFFAOYSA-N 2 3 365.566 1.717 20 0 FDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1CCN(C2CC2)CC1 ZINC000612303033 554760264 /nfs/dbraw/zinc/76/02/64/554760264.db2.gz QLIRRRHSACLDTC-UHFFFAOYSA-N 2 3 353.555 1.528 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627132314 557283933 /nfs/dbraw/zinc/28/39/33/557283933.db2.gz GMPMRTGNXXYIEN-IAGOWNOFSA-N 2 3 351.539 1.329 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627132314 557283936 /nfs/dbraw/zinc/28/39/36/557283936.db2.gz GMPMRTGNXXYIEN-IAGOWNOFSA-N 2 3 351.539 1.329 20 0 FDADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000423173126 680782511 /nfs/dbraw/zinc/78/25/11/680782511.db2.gz XAUJUSXGONGRLX-MOPGFXCFSA-N 2 3 352.567 1.683 20 0 FDADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000423173129 680782630 /nfs/dbraw/zinc/78/26/30/680782630.db2.gz XAUJUSXGONGRLX-RTBURBONSA-N 2 3 352.567 1.683 20 0 FDADHP CN(CCNC(=O)C1CC[NH+](CC2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000262278414 837504875 /nfs/dbraw/zinc/50/48/75/837504875.db2.gz UGYJXXHNXICJNR-UHFFFAOYSA-N 2 3 372.557 1.946 20 0 FDADHP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000750985086 907706413 /nfs/dbraw/zinc/70/64/13/907706413.db2.gz VOLWLGMBOSIPKJ-NRFANRHFSA-N 2 3 366.594 1.571 20 0 FDADHP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@H](O)CN3CCCC3)CC2)CC1 ZINC000750985086 907706428 /nfs/dbraw/zinc/70/64/28/907706428.db2.gz VOLWLGMBOSIPKJ-NRFANRHFSA-N 2 3 366.594 1.571 20 0 FDADHP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H](O)CN3CCCC3)CC2)CC1 ZINC000750985086 907706433 /nfs/dbraw/zinc/70/64/33/907706433.db2.gz VOLWLGMBOSIPKJ-NRFANRHFSA-N 2 3 366.594 1.571 20 0 FDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810433551 940990637 /nfs/dbraw/zinc/99/06/37/940990637.db2.gz ARFBTACMBVJKLT-IBGZPJMESA-N 2 3 358.546 1.931 20 0 FDADHP [NH2+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849073963 977303224 /nfs/dbraw/zinc/30/32/24/977303224.db2.gz RXPNPUPEPPNRHP-WOJBJXKFSA-N 2 3 371.529 1.628 20 0 FDADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925718522 995731637 /nfs/dbraw/zinc/73/16/37/995731637.db2.gz XIMGSKRHVANPNZ-RTBURBONSA-N 2 3 350.551 1.735 20 0 FDADHP C[NH+](C)CCOc1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)ccn1 ZINC000638900387 695411242 /nfs/dbraw/zinc/41/12/42/695411242.db2.gz FZWRHGICDKAVRZ-UHFFFAOYSA-N 2 3 350.507 1.347 20 0 FDADHP c1cc(OCC[NH+]2CCCC2)ccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000647541207 787919763 /nfs/dbraw/zinc/91/97/63/787919763.db2.gz LIFVQEPEIWMZGT-HXUWFJFHSA-N 2 3 358.530 1.641 20 0 FDADHP CN(CCNC(=O)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000515386742 816227864 /nfs/dbraw/zinc/22/78/64/816227864.db2.gz SCWPOXVIMKHQSS-LJQANCHMSA-N 2 3 372.557 1.946 20 0 FDADHP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873212425 988649979 /nfs/dbraw/zinc/64/99/79/988649979.db2.gz MFDCIVWTUYHYQK-UHFFFAOYSA-N 2 3 350.532 1.474 20 0 FDADHP C[NH+]1CCC(CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)(N2CCOCC2)CC1 ZINC000925687133 995725839 /nfs/dbraw/zinc/72/58/39/995725839.db2.gz YZRCQBYEUXKALL-SQNIBIBYSA-N 2 3 350.551 1.149 20 0 FDADHP C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541905285 541295562 /nfs/dbraw/zinc/29/55/62/541295562.db2.gz VUQWCMBZPXFVHT-MSOLQXFVSA-N 2 3 367.582 1.774 20 0 FDADHP C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541905285 541295566 /nfs/dbraw/zinc/29/55/66/541295566.db2.gz VUQWCMBZPXFVHT-MSOLQXFVSA-N 2 3 367.582 1.774 20 0 FDADHP C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000466936478 684834777 /nfs/dbraw/zinc/83/47/77/684834777.db2.gz RXBGMMIWKANTQJ-WMZOPIPTSA-N 2 3 353.555 1.384 20 0 FDADHP CN(CCCCCC[NH3+])C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000891460286 778064054 /nfs/dbraw/zinc/06/40/54/778064054.db2.gz GGAOSSRCQQTXOC-UHFFFAOYSA-N 2 3 353.555 1.706 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)CC2)CC1 ZINC000660572399 800494309 /nfs/dbraw/zinc/49/43/09/800494309.db2.gz BXKQVVOYLOMUAO-QGZVFWFLSA-N 2 3 365.566 1.717 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C(C)(C)C)C3)CC2)CC1 ZINC000660572399 800494312 /nfs/dbraw/zinc/49/43/12/800494312.db2.gz BXKQVVOYLOMUAO-QGZVFWFLSA-N 2 3 365.566 1.717 20 0 FDADHP CCOC(=O)C1([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000422914497 814903435 /nfs/dbraw/zinc/90/34/35/814903435.db2.gz ULORSRMQASZXMM-BZSNNMDCSA-N 2 3 369.550 1.787 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000516661230 816940784 /nfs/dbraw/zinc/94/07/84/816940784.db2.gz MNJHTSTWRAUXBE-FXAWDEMLSA-N 2 3 364.578 1.981 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000516661230 816940787 /nfs/dbraw/zinc/94/07/87/816940787.db2.gz MNJHTSTWRAUXBE-FXAWDEMLSA-N 2 3 364.578 1.981 20 0 FDADHP CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000470016159 993932848 /nfs/dbraw/zinc/93/28/48/993932848.db2.gz CNOBMTZWMMKGQY-LJQANCHMSA-N 2 3 373.545 1.115 20 0 FDADHP CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000470016159 993932853 /nfs/dbraw/zinc/93/28/53/993932853.db2.gz CNOBMTZWMMKGQY-LJQANCHMSA-N 2 3 373.545 1.115 20 0 FDADHP C[NH+]1CC[C@H]2CN(CC3(CN4CC[C@H]5[C@H](CC[N@H+]5C)C4)COC3)CC[C@H]21 ZINC000879580242 995040206 /nfs/dbraw/zinc/04/02/06/995040206.db2.gz FZUPPIXKWUKANY-JVSBHGNQSA-N 2 3 362.562 1.055 20 0 FDADHP C[NH+]1CC[C@H]2CN(CC3(CN4CC[C@H]5[C@H](CC[N@@H+]5C)C4)COC3)CC[C@H]21 ZINC000879580242 995040219 /nfs/dbraw/zinc/04/02/19/995040219.db2.gz FZUPPIXKWUKANY-JVSBHGNQSA-N 2 3 362.562 1.055 20 0 FDADHP C[NH+]1CC[C@@H]2CN(CC3(CN4CC[C@@H]5[C@@H](CC[N@@H+]5C)C4)COC3)CC[C@@H]21 ZINC000879580242 995040229 /nfs/dbraw/zinc/04/02/29/995040229.db2.gz FZUPPIXKWUKANY-JVSBHGNQSA-N 2 3 362.562 1.055 20 0 FDADHP C[NH+]1CC[C@@H]2CN(CC3(CN4CC[C@@H]5[C@@H](CC[N@H+]5C)C4)COC3)CC[C@@H]21 ZINC000879580242 995040240 /nfs/dbraw/zinc/04/02/40/995040240.db2.gz FZUPPIXKWUKANY-JVSBHGNQSA-N 2 3 362.562 1.055 20 0 FDADHP O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647790225 1009923904 /nfs/dbraw/zinc/92/39/04/1009923904.db2.gz UTQRSZIJOLTQLN-PWRODBHTSA-N 2 3 370.541 1.990 20 0 FDADHP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000524904526 539670869 /nfs/dbraw/zinc/67/08/69/539670869.db2.gz PBEMPAXIXADGKF-QZTJIDSGSA-N 2 3 355.571 1.489 20 0 FDADHP O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1)[C@@H]1CCC[NH2+]1 ZINC000570286394 549226172 /nfs/dbraw/zinc/22/61/72/549226172.db2.gz SRFJTWBMKZGGNJ-XLIONFOSSA-N 2 3 356.514 1.413 20 0 FDADHP O[C@H]1CC[N@H+](Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655750592 772552632 /nfs/dbraw/zinc/55/26/32/772552632.db2.gz CTNBMVLIXREGRP-FCHUYYIVSA-N 2 3 373.541 1.986 20 0 FDADHP O[C@H]1CC[N@@H+](Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655750592 772552637 /nfs/dbraw/zinc/55/26/37/772552637.db2.gz CTNBMVLIXREGRP-FCHUYYIVSA-N 2 3 373.541 1.986 20 0 FDADHP O[C@@H]1CC[N@H+](Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655750595 772552703 /nfs/dbraw/zinc/55/27/03/772552703.db2.gz CTNBMVLIXREGRP-YADHBBJMSA-N 2 3 373.541 1.986 20 0 FDADHP O[C@@H]1CC[N@@H+](Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655750595 772552707 /nfs/dbraw/zinc/55/27/07/772552707.db2.gz CTNBMVLIXREGRP-YADHBBJMSA-N 2 3 373.541 1.986 20 0 FDADHP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@@H](C)C1 ZINC000925856868 995799219 /nfs/dbraw/zinc/79/92/19/995799219.db2.gz XRXCPNAGTJLKTN-BZSNNMDCSA-N 2 3 367.534 1.398 20 0 FDADHP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@@H](C)C1 ZINC000925856868 995799227 /nfs/dbraw/zinc/79/92/27/995799227.db2.gz XRXCPNAGTJLKTN-BZSNNMDCSA-N 2 3 367.534 1.398 20 0 FDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000366879308 677472234 /nfs/dbraw/zinc/47/22/34/677472234.db2.gz GPZJUSXZWLQZKO-UHFFFAOYSA-N 2 3 350.551 1.783 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000523309003 828173025 /nfs/dbraw/zinc/17/30/25/828173025.db2.gz MFGZBXUMQKUTOV-MOPGFXCFSA-N 2 3 363.550 1.471 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000523309003 828173031 /nfs/dbraw/zinc/17/30/31/828173031.db2.gz MFGZBXUMQKUTOV-MOPGFXCFSA-N 2 3 363.550 1.471 20 0 FDADHP CN1CCCC(C)(C)[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875544907 991720550 /nfs/dbraw/zinc/72/05/50/991720550.db2.gz HNBKXMWIUDKVJR-KURKYZTESA-N 2 3 367.582 1.488 20 0 FDADHP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@@H](C)C1 ZINC000925856879 995799119 /nfs/dbraw/zinc/79/91/19/995799119.db2.gz XRXCPNAGTJLKTN-KSZLIROESA-N 2 3 367.534 1.398 20 0 FDADHP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@@H](C)C1 ZINC000925856879 995799128 /nfs/dbraw/zinc/79/91/28/995799128.db2.gz XRXCPNAGTJLKTN-KSZLIROESA-N 2 3 367.534 1.398 20 0 FDADHP COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000576280313 550531446 /nfs/dbraw/zinc/53/14/46/550531446.db2.gz JFHUWFMQFFHYIP-YVWKXTFCSA-N 2 3 374.529 1.318 20 0 FDADHP COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000576280313 550531448 /nfs/dbraw/zinc/53/14/48/550531448.db2.gz JFHUWFMQFFHYIP-YVWKXTFCSA-N 2 3 374.529 1.318 20 0 FDADHP C[C@@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CN1C1CC1 ZINC000441386408 682074357 /nfs/dbraw/zinc/07/43/57/682074357.db2.gz OMTHJGMNTXHKGG-IAGOWNOFSA-N 2 3 353.555 1.527 20 0 FDADHP CCOCCC[N@@H+]1CC[C@H](NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000484472508 686596905 /nfs/dbraw/zinc/59/69/05/686596905.db2.gz WGFWZCQCKHNMPH-ICSRJNTNSA-N 2 3 354.583 1.739 20 0 FDADHP CCOCCC[N@H+]1CC[C@H](NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000484472508 686596910 /nfs/dbraw/zinc/59/69/10/686596910.db2.gz WGFWZCQCKHNMPH-ICSRJNTNSA-N 2 3 354.583 1.739 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3C[NH+](C)C)CC2)CC1 ZINC000516086047 689914733 /nfs/dbraw/zinc/91/47/33/689914733.db2.gz PDIZLYYSSKUTAH-IBGZPJMESA-N 2 3 350.551 1.735 20 0 FDADHP CCC1([NH3+])CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000891463638 778069650 /nfs/dbraw/zinc/06/96/50/778069650.db2.gz YGFIAXJDIYIIPF-UHFFFAOYSA-N 2 3 351.539 1.458 20 0 FDADHP O[C@@H]1CC[N@H+](Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000658136938 783673954 /nfs/dbraw/zinc/67/39/54/783673954.db2.gz JIKGNIKKMRNQEJ-YADHBBJMSA-N 2 3 373.541 1.986 20 0 FDADHP O[C@@H]1CC[N@@H+](Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000658136938 783673960 /nfs/dbraw/zinc/67/39/60/783673960.db2.gz JIKGNIKKMRNQEJ-YADHBBJMSA-N 2 3 373.541 1.986 20 0 FDADHP CCOC(=O)C1([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000422914499 814903456 /nfs/dbraw/zinc/90/34/56/814903456.db2.gz ULORSRMQASZXMM-KSZLIROESA-N 2 3 369.550 1.787 20 0 FDADHP C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1C[NH3+] ZINC000923501949 889482964 /nfs/dbraw/zinc/48/29/64/889482964.db2.gz UEBKLZKMIJITEC-XLIONFOSSA-N 2 3 358.530 1.815 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCN2C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000875710875 991928178 /nfs/dbraw/zinc/92/81/78/991928178.db2.gz SFHNGROYGKXHPS-BRWVUGGUSA-N 2 3 353.555 1.240 20 0 FDADHP Cc1nn(-c2ccncc2)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000556951928 544224420 /nfs/dbraw/zinc/22/44/20/544224420.db2.gz AOOWGYUAPGDRRZ-UHFFFAOYSA-N 2 3 354.502 1.882 20 0 FDADHP Cc1nn(-c2ccncc2)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000556951928 544224422 /nfs/dbraw/zinc/22/44/22/544224422.db2.gz AOOWGYUAPGDRRZ-UHFFFAOYSA-N 2 3 354.502 1.882 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NCC3([NH3+])CCCCC3)CC2)CC1 ZINC000333936945 259395759 /nfs/dbraw/zinc/39/57/59/259395759.db2.gz LAABOYVYUMMWDL-UHFFFAOYSA-N 2 3 351.539 1.506 20 0 FDADHP NC[C@H](C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000424307316 538277879 /nfs/dbraw/zinc/27/78/79/538277879.db2.gz XJKDNKWQEYOHNR-SUMDDJOVSA-N 2 3 362.493 1.448 20 0 FDADHP NC[C@H](C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000424307316 538277885 /nfs/dbraw/zinc/27/78/85/538277885.db2.gz XJKDNKWQEYOHNR-SUMDDJOVSA-N 2 3 362.493 1.448 20 0 FDADHP CCOC(=O)C1([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)CC[NH2+]CC1 ZINC000602023578 553502732 /nfs/dbraw/zinc/50/27/32/553502732.db2.gz ZRCLBRKFPHXGPR-OAHLLOKOSA-N 2 3 361.490 1.225 20 0 FDADHP CN1CCN(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1(C)C ZINC000423095606 814961349 /nfs/dbraw/zinc/96/13/49/814961349.db2.gz FSMYIEWQIAYHFU-NQIIRXRSSA-N 2 3 358.530 1.858 20 0 FDADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000895665987 822694244 /nfs/dbraw/zinc/69/42/44/822694244.db2.gz IFYIXIQPTLAARP-INIZCTEOSA-N 2 3 353.555 1.575 20 0 FDADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000895665987 822694245 /nfs/dbraw/zinc/69/42/45/822694245.db2.gz IFYIXIQPTLAARP-INIZCTEOSA-N 2 3 353.555 1.575 20 0 FDADHP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000750985089 907706046 /nfs/dbraw/zinc/70/60/46/907706046.db2.gz VOLWLGMBOSIPKJ-OAQYLSRUSA-N 2 3 366.594 1.571 20 0 FDADHP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H](O)CN3CCCC3)CC2)CC1 ZINC000750985089 907706068 /nfs/dbraw/zinc/70/60/68/907706068.db2.gz VOLWLGMBOSIPKJ-OAQYLSRUSA-N 2 3 366.594 1.571 20 0 FDADHP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H](O)CN3CCCC3)CC2)CC1 ZINC000750985089 907706083 /nfs/dbraw/zinc/70/60/83/907706083.db2.gz VOLWLGMBOSIPKJ-OAQYLSRUSA-N 2 3 366.594 1.571 20 0 FDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000360870580 988186306 /nfs/dbraw/zinc/18/63/06/988186306.db2.gz IDHXSCIVFQEFDV-QHAWAJNXSA-N 2 3 366.594 1.883 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612973043 554866591 /nfs/dbraw/zinc/86/65/91/554866591.db2.gz BOTSJBBXZQBHTB-IAGOWNOFSA-N 2 3 351.539 1.186 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612973043 554866593 /nfs/dbraw/zinc/86/65/93/554866593.db2.gz BOTSJBBXZQBHTB-IAGOWNOFSA-N 2 3 351.539 1.186 20 0 FDADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000423173127 680782623 /nfs/dbraw/zinc/78/26/23/680782623.db2.gz XAUJUSXGONGRLX-OALUTQOASA-N 2 3 352.567 1.683 20 0 FDADHP C[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CN1C1CC1 ZINC000441386410 682074776 /nfs/dbraw/zinc/07/47/76/682074776.db2.gz OMTHJGMNTXHKGG-IRXDYDNUSA-N 2 3 353.555 1.527 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)CC2)CC1 ZINC000891459608 778057670 /nfs/dbraw/zinc/05/76/70/778057670.db2.gz CXZZEFBIKKOBFZ-CQSZACIVSA-N 2 3 373.492 1.089 20 0 FDADHP CCN1CCN(CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422860893 814880846 /nfs/dbraw/zinc/88/08/46/814880846.db2.gz MCZIJDPMLFIHJB-CTNGQTDRSA-N 2 3 358.530 1.860 20 0 FDADHP C[C@@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C[C@H](C)N1Cc1ccccc1 ZINC001168037144 824056101 /nfs/dbraw/zinc/05/61/01/824056101.db2.gz WSYHGBXSAGVJGW-ALXJQNPVSA-N 2 3 364.494 1.566 20 0 FDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000849117778 977330574 /nfs/dbraw/zinc/33/05/74/977330574.db2.gz VNHRQWCTEPYKCK-LJQANCHMSA-N 2 3 373.545 1.612 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870022948 985530363 /nfs/dbraw/zinc/53/03/63/985530363.db2.gz FYWKRESHEAMJTO-NJYVYQBISA-N 2 3 372.557 1.849 20 0 FDADHP O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647790223 1009923595 /nfs/dbraw/zinc/92/35/95/1009923595.db2.gz UTQRSZIJOLTQLN-NJDAHSKKSA-N 2 3 370.541 1.990 20 0 FDADHP CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000124232473 524935653 /nfs/dbraw/zinc/93/56/53/524935653.db2.gz QURRSATVAABIME-GOSISDBHSA-N 2 3 352.567 1.887 20 0 FDADHP CN1CCC[C@H]1CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000124232346 524936719 /nfs/dbraw/zinc/93/67/19/524936719.db2.gz QURRSATVAABIME-SFHVURJKSA-N 2 3 352.567 1.887 20 0 FDADHP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000154007603 525390650 /nfs/dbraw/zinc/39/06/50/525390650.db2.gz YYNMJZNLGCXXFB-QZTJIDSGSA-N 2 3 369.598 1.878 20 0 FDADHP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CC[NH2+]CC1 ZINC000591566809 551879943 /nfs/dbraw/zinc/87/99/43/551879943.db2.gz UTVDRLQAKOJBPH-IAGOWNOFSA-N 2 3 366.550 1.066 20 0 FDADHP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335263 787780465 /nfs/dbraw/zinc/78/04/65/787780465.db2.gz YFPMNXQYVURAEK-OXJNMPFZSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335263 787780471 /nfs/dbraw/zinc/78/04/71/787780471.db2.gz YFPMNXQYVURAEK-OXJNMPFZSA-N 2 3 358.530 1.814 20 0 FDADHP CC1(C)C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCN1Cc1ccccc1 ZINC001171977441 961393175 /nfs/dbraw/zinc/39/31/75/961393175.db2.gz BJZLQSCUPLWAMT-QGZVFWFLSA-N 2 3 364.494 1.568 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612973045 554866584 /nfs/dbraw/zinc/86/65/84/554866584.db2.gz BOTSJBBXZQBHTB-SJORKVTESA-N 2 3 351.539 1.186 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612973045 554866585 /nfs/dbraw/zinc/86/65/85/554866585.db2.gz BOTSJBBXZQBHTB-SJORKVTESA-N 2 3 351.539 1.186 20 0 FDADHP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C[NH3+])CC1 ZINC000430648540 777942312 /nfs/dbraw/zinc/94/23/12/777942312.db2.gz RFGIUAHCZWRFQU-KRWDZBQOSA-N 2 3 358.530 1.826 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)CC2)CC1 ZINC000891459607 778057132 /nfs/dbraw/zinc/05/71/32/778057132.db2.gz CXZZEFBIKKOBFZ-AWEZNQCLSA-N 2 3 373.492 1.089 20 0 FDADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000663409281 806954568 /nfs/dbraw/zinc/95/45/68/806954568.db2.gz LXVWULDQIOQUMI-HNNXBMFYSA-N 2 3 355.571 1.867 20 0 FDADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000663409281 806954570 /nfs/dbraw/zinc/95/45/70/806954570.db2.gz LXVWULDQIOQUMI-HNNXBMFYSA-N 2 3 355.571 1.867 20 0 FDADHP CN1CCN(c2cc(Nc3c[nH+]ccc3N3CCN(C)CC3)cc[nH+]2)CC1 ZINC001201658269 975118818 /nfs/dbraw/zinc/11/88/18/975118818.db2.gz VHDSVFTVAUPYGI-UHFFFAOYSA-N 2 3 367.501 1.724 20 0 FDADHP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000533458728 540250481 /nfs/dbraw/zinc/25/04/81/540250481.db2.gz IXHUPAVBCRBITB-GOSISDBHSA-N 2 3 355.571 1.489 20 0 FDADHP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000533458728 540250484 /nfs/dbraw/zinc/25/04/84/540250484.db2.gz IXHUPAVBCRBITB-GOSISDBHSA-N 2 3 355.571 1.489 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247199326 537093074 /nfs/dbraw/zinc/09/30/74/537093074.db2.gz WYWAYSIPKMDJKN-IPMKNSEASA-N 2 3 367.582 1.917 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247199326 537093076 /nfs/dbraw/zinc/09/30/76/537093076.db2.gz WYWAYSIPKMDJKN-IPMKNSEASA-N 2 3 367.582 1.917 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NC3(C[NH3+])CCCCC3)CC2)CC1 ZINC000891461994 778065986 /nfs/dbraw/zinc/06/59/86/778065986.db2.gz PGHMAAPYHOBVDO-UHFFFAOYSA-N 2 3 351.539 1.506 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[C@H](C[NH3+])CC3)CC2)CC1 ZINC000891462447 778066745 /nfs/dbraw/zinc/06/67/45/778066745.db2.gz QYMWMLNIENIGQC-WKILWMFISA-N 2 3 351.539 1.362 20 0 FDADHP [NH2+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849073962 977303769 /nfs/dbraw/zinc/30/37/69/977303769.db2.gz RXPNPUPEPPNRHP-VQTJNVASSA-N 2 3 371.529 1.628 20 0 FDADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)C1 ZINC000873232706 988663434 /nfs/dbraw/zinc/66/34/34/988663434.db2.gz XFPBMPCZOJOGMO-ZHALLVOQSA-N 2 3 350.551 1.803 20 0 FDADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)C1 ZINC000873232706 988663438 /nfs/dbraw/zinc/66/34/38/988663438.db2.gz XFPBMPCZOJOGMO-ZHALLVOQSA-N 2 3 350.551 1.803 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCN2C2CCCC2)C[C@H]1C[NH+](C)C ZINC000875872200 992118476 /nfs/dbraw/zinc/11/84/76/992118476.db2.gz BFZLOFADGMZJLN-ZHALLVOQSA-N 2 3 365.566 1.384 20 0 FDADHP C[NH+]1CC[C@@H]2CN(CC3(CN4CC[C@@H]5[C@@H](CC[N@H+]5C)C4)COC3)CC[C@H]21 ZINC000879580241 995040881 /nfs/dbraw/zinc/04/08/81/995040881.db2.gz FZUPPIXKWUKANY-IYWMVGAKSA-N 2 3 362.562 1.055 20 0 FDADHP C[NH+]1CC[C@@H]2CN(CC3(CN4CC[C@@H]5[C@@H](CC[N@@H+]5C)C4)COC3)CC[C@H]21 ZINC000879580241 995040891 /nfs/dbraw/zinc/04/08/91/995040891.db2.gz FZUPPIXKWUKANY-IYWMVGAKSA-N 2 3 362.562 1.055 20 0 FDADHP C[NH+]1CC[C@H]2CN(CC3(CN4CC[C@@H]5[C@H](CC[N@@H+]5C)C4)COC3)CC[C@H]21 ZINC000879580241 995040904 /nfs/dbraw/zinc/04/09/04/995040904.db2.gz FZUPPIXKWUKANY-IYWMVGAKSA-N 2 3 362.562 1.055 20 0 FDADHP C[NH+]1CC[C@H]2CN(CC3(CN4CC[C@@H]5[C@H](CC[N@H+]5C)C4)COC3)CC[C@H]21 ZINC000879580241 995040914 /nfs/dbraw/zinc/04/09/14/995040914.db2.gz FZUPPIXKWUKANY-IYWMVGAKSA-N 2 3 362.562 1.055 20 0 FDADHP O=C1O[C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC12CC[NH2+]CC2 ZINC000925849861 995795600 /nfs/dbraw/zinc/79/56/00/995795600.db2.gz RCAAPFSSODUVHK-WJPUGNRLSA-N 2 3 371.481 1.517 20 0 FDADHP C[C@@H]1C[C@H](N(C)CC2(C[N@@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)COC2)CC[NH+]1C ZINC000182212966 526095687 /nfs/dbraw/zinc/09/56/87/526095687.db2.gz RCWASPKJFSBPRG-IYWMVGAKSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H](N(C)CC2(C[N@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)COC2)CC[NH+]1C ZINC000182212966 526095695 /nfs/dbraw/zinc/09/56/95/526095695.db2.gz RCWASPKJFSBPRG-IYWMVGAKSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H](N(C)CC2(C[NH+](C)[C@@H]3CCN(C)[C@@H](C)C3)COC2)CC[N@@H+]1C ZINC000182212966 526095700 /nfs/dbraw/zinc/09/57/00/526095700.db2.gz RCWASPKJFSBPRG-IYWMVGAKSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H](N(C)CC2(C[NH+](C)[C@@H]3CCN(C)[C@@H](C)C3)COC2)CC[N@H+]1C ZINC000182212966 526095710 /nfs/dbraw/zinc/09/57/10/526095710.db2.gz RCWASPKJFSBPRG-IYWMVGAKSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H]([N@H+](C)CC2(CN(C)[C@@H]3CC[NH+](C)[C@@H](C)C3)COC2)CCN1C ZINC000182212966 526095718 /nfs/dbraw/zinc/09/57/18/526095718.db2.gz RCWASPKJFSBPRG-IYWMVGAKSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H]([N@@H+](C)CC2(CN(C)[C@@H]3CC[NH+](C)[C@@H](C)C3)COC2)CCN1C ZINC000182212966 526095728 /nfs/dbraw/zinc/09/57/28/526095728.db2.gz RCWASPKJFSBPRG-IYWMVGAKSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CC2(CN(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)COC2)CCN1C ZINC000182212966 526095739 /nfs/dbraw/zinc/09/57/39/526095739.db2.gz RCWASPKJFSBPRG-IYWMVGAKSA-N 2 3 366.594 1.832 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CC2(CN(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)COC2)CCN1C ZINC000182212966 526095747 /nfs/dbraw/zinc/09/57/47/526095747.db2.gz RCWASPKJFSBPRG-IYWMVGAKSA-N 2 3 366.594 1.832 20 0 FDADHP CC[NH+](C)C[C@@H]1CCN(CC2(CN3CC[C@H](C[N@@H+](C)CC)C3)COC2)C1 ZINC000182215438 526099238 /nfs/dbraw/zinc/09/92/38/526099238.db2.gz GIZYAJJZIUACPE-BGYRXZFFSA-N 2 3 366.594 1.550 20 0 FDADHP CC[NH+](C)C[C@@H]1CCN(CC2(CN3CC[C@H](C[N@H+](C)CC)C3)COC2)C1 ZINC000182215438 526099247 /nfs/dbraw/zinc/09/92/47/526099247.db2.gz GIZYAJJZIUACPE-BGYRXZFFSA-N 2 3 366.594 1.550 20 0 FDADHP CC[NH+](C)C[C@H]1CCN(CC2(CN3CC[C@@H](C[N@H+](C)CC)C3)COC2)C1 ZINC000182215438 526099257 /nfs/dbraw/zinc/09/92/57/526099257.db2.gz GIZYAJJZIUACPE-BGYRXZFFSA-N 2 3 366.594 1.550 20 0 FDADHP CC[NH+](C)C[C@H]1CCN(CC2(CN3CC[C@@H](C[N@@H+](C)CC)C3)COC2)C1 ZINC000182215438 526099263 /nfs/dbraw/zinc/09/92/63/526099263.db2.gz GIZYAJJZIUACPE-BGYRXZFFSA-N 2 3 366.594 1.550 20 0 FDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000567661116 548198853 /nfs/dbraw/zinc/19/88/53/548198853.db2.gz SLLMUMDFOYKZAR-IBGZPJMESA-N 2 3 367.582 1.776 20 0 FDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000567661116 548198856 /nfs/dbraw/zinc/19/88/56/548198856.db2.gz SLLMUMDFOYKZAR-IBGZPJMESA-N 2 3 367.582 1.776 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]([NH+](C)C)[C@H]3C)CC2)CC1 ZINC000615303625 555189474 /nfs/dbraw/zinc/18/94/74/555189474.db2.gz UDEBIYSHHPGSGA-VQIMIIECSA-N 2 3 350.551 1.734 20 0 FDADHP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000637266611 695209195 /nfs/dbraw/zinc/20/91/95/695209195.db2.gz ZQNVOPBKDSARDO-KRWDZBQOSA-N 2 3 355.571 1.774 20 0 FDADHP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000637266611 695209199 /nfs/dbraw/zinc/20/91/99/695209199.db2.gz ZQNVOPBKDSARDO-KRWDZBQOSA-N 2 3 355.571 1.774 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N(C)CCCC[NH+](C)C)CC2)CC1 ZINC000654815295 769179062 /nfs/dbraw/zinc/17/90/62/769179062.db2.gz NSNGPWYBZZVQEP-UHFFFAOYSA-N 2 3 352.567 1.983 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N3CCCCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000891460620 778063481 /nfs/dbraw/zinc/06/34/81/778063481.db2.gz HOQFTSRPFKERPK-MRXNPFEDSA-N 2 3 351.539 1.458 20 0 FDADHP CCOC(=O)C1([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC[NH2+]CC1 ZINC000422914500 814903465 /nfs/dbraw/zinc/90/34/65/814903465.db2.gz ULORSRMQASZXMM-KURKYZTESA-N 2 3 369.550 1.787 20 0 FDADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482620125 848437114 /nfs/dbraw/zinc/43/71/14/848437114.db2.gz OHUSLMUPEYKXIZ-LSTHTHJFSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482620125 848437117 /nfs/dbraw/zinc/43/71/17/848437117.db2.gz OHUSLMUPEYKXIZ-LSTHTHJFSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[NH+](C)CC[C@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482620125 848437122 /nfs/dbraw/zinc/43/71/22/848437122.db2.gz OHUSLMUPEYKXIZ-LSTHTHJFSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[NH+](C)CC[C@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482620125 848437128 /nfs/dbraw/zinc/43/71/28/848437128.db2.gz OHUSLMUPEYKXIZ-LSTHTHJFSA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482620127 848437274 /nfs/dbraw/zinc/43/72/74/848437274.db2.gz OHUSLMUPEYKXIZ-NSISKUIASA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482620127 848437280 /nfs/dbraw/zinc/43/72/80/848437280.db2.gz OHUSLMUPEYKXIZ-NSISKUIASA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[NH+](C)CC[C@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482620127 848437284 /nfs/dbraw/zinc/43/72/84/848437284.db2.gz OHUSLMUPEYKXIZ-NSISKUIASA-N 2 3 358.530 1.814 20 0 FDADHP C[C@@H]1C[NH+](C)CC[C@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482620127 848437287 /nfs/dbraw/zinc/43/72/87/848437287.db2.gz OHUSLMUPEYKXIZ-NSISKUIASA-N 2 3 358.530 1.814 20 0 FDADHP NCC(=O)N1CCC[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000904473083 851248860 /nfs/dbraw/zinc/24/88/60/851248860.db2.gz PIRFGJGHBUQLKS-SYNHAJSKSA-N 2 3 358.486 1.029 20 0 FDADHP C[NH2+]CCOc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000884206312 982981806 /nfs/dbraw/zinc/98/18/06/982981806.db2.gz RMQNZCKSOLZIPH-UHFFFAOYSA-N 2 3 374.529 1.573 20 0 FDADHP CC1CCN(CCNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000875071992 990833104 /nfs/dbraw/zinc/83/31/04/990833104.db2.gz OZZFXJLRESAVKO-QZTJIDSGSA-N 2 3 353.555 1.099 20 0 FDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000074085982 522673267 /nfs/dbraw/zinc/67/32/67/522673267.db2.gz WECBCKIPUCWMBY-IBGZPJMESA-N 2 3 367.582 1.776 20 0 FDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000074085982 522673276 /nfs/dbraw/zinc/67/32/76/522673276.db2.gz WECBCKIPUCWMBY-IBGZPJMESA-N 2 3 367.582 1.776 20 0 FDADHP C[C@H]1CCC[C@@](CNC(=O)N(CCN(C)C)CC[NH+](C)C)([NH+](C)C)C1 ZINC000077785722 523465160 /nfs/dbraw/zinc/46/51/60/523465160.db2.gz INJVMCNFIAPQON-PKOBYXMFSA-N 2 3 355.571 1.632 20 0 FDADHP COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000576280311 550531641 /nfs/dbraw/zinc/53/16/41/550531641.db2.gz JFHUWFMQFFHYIP-ILZDJORESA-N 2 3 374.529 1.318 20 0 FDADHP COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000576280311 550531642 /nfs/dbraw/zinc/53/16/42/550531642.db2.gz JFHUWFMQFFHYIP-ILZDJORESA-N 2 3 374.529 1.318 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)CC2)CC1 ZINC000520253194 819276226 /nfs/dbraw/zinc/27/62/26/819276226.db2.gz TWEBSXPTLAWNQC-AZUAARDMSA-N 2 3 362.562 1.735 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)CC2)CC1 ZINC000520253194 819276234 /nfs/dbraw/zinc/27/62/34/819276234.db2.gz TWEBSXPTLAWNQC-AZUAARDMSA-N 2 3 362.562 1.735 20 0 FDADHP C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1C[NH3+] ZINC000923501947 889482797 /nfs/dbraw/zinc/48/27/97/889482797.db2.gz UEBKLZKMIJITEC-FXAWDEMLSA-N 2 3 358.530 1.815 20 0 FDADHP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000524904527 539670796 /nfs/dbraw/zinc/67/07/96/539670796.db2.gz PBEMPAXIXADGKF-ROUUACIJSA-N 2 3 355.571 1.489 20 0 FDADHP CC(C)N1CCN(CCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243648 539919681 /nfs/dbraw/zinc/91/96/81/539919681.db2.gz YOAFOYIZEVEEAF-FQEVSTJZSA-N 2 3 352.567 1.493 20 0 FDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000581125323 551054352 /nfs/dbraw/zinc/05/43/52/551054352.db2.gz LUPMEQXSSDYRGA-UZLBHIALSA-N 2 3 358.530 1.862 20 0 FDADHP CC(C)[NH+]1CCN(CCCN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000367043236 677481997 /nfs/dbraw/zinc/48/19/97/677481997.db2.gz OKVSABVFOWQQTC-SLFFLAALSA-N 2 3 352.567 1.586 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N3CCC(CC[NH3+])CC3)CC2)CC1 ZINC000516975022 690017656 /nfs/dbraw/zinc/01/76/56/690017656.db2.gz MZPQUSDDCVBKHE-UHFFFAOYSA-N 2 3 351.539 1.315 20 0 FDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295260 806403883 /nfs/dbraw/zinc/40/38/83/806403883.db2.gz UTGFGHOXBIGEFS-GOSISDBHSA-N 2 3 350.551 1.687 20 0 FDADHP O=C(CN1CCC2(C1)CC[NH2+]CC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000844222589 947855455 /nfs/dbraw/zinc/85/54/55/947855455.db2.gz IAEXJUUNUPTUAX-UHFFFAOYSA-N 2 3 370.541 1.974 20 0 FDADHP C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC[C@@H]21 ZINC000868211612 977348005 /nfs/dbraw/zinc/34/80/05/977348005.db2.gz LREHXPVUYIYSRU-APWZRJJASA-N 2 3 363.550 1.281 20 0 FDADHP C[N@H+]1CC[C@@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC[C@@H]21 ZINC000868211612 977348014 /nfs/dbraw/zinc/34/80/14/977348014.db2.gz LREHXPVUYIYSRU-APWZRJJASA-N 2 3 363.550 1.281 20 0 FDADHP C[NH+]1CC[C@@H]2CN(CC3(CN4CC[C@H]5[C@H](CC[N@H+]5C)C4)COC3)CC[C@H]21 ZINC000879580244 995039391 /nfs/dbraw/zinc/03/93/91/995039391.db2.gz FZUPPIXKWUKANY-WTGUMLROSA-N 2 3 362.562 1.055 20 0 FDADHP C[NH+]1CC[C@@H]2CN(CC3(CN4CC[C@H]5[C@H](CC[N@@H+]5C)C4)COC3)CC[C@H]21 ZINC000879580244 995039401 /nfs/dbraw/zinc/03/94/01/995039401.db2.gz FZUPPIXKWUKANY-WTGUMLROSA-N 2 3 362.562 1.055 20 0 FDADHP C[NH+]1CC[C@@H]2CN(CC3(CN4CC[C@@H]5[C@H](CC[N@@H+]5C)C4)COC3)CC[C@@H]21 ZINC000879580244 995039416 /nfs/dbraw/zinc/03/94/16/995039416.db2.gz FZUPPIXKWUKANY-WTGUMLROSA-N 2 3 362.562 1.055 20 0 FDADHP C[NH+]1CC[C@@H]2CN(CC3(CN4CC[C@@H]5[C@H](CC[N@H+]5C)C4)COC3)CC[C@@H]21 ZINC000879580244 995039427 /nfs/dbraw/zinc/03/94/27/995039427.db2.gz FZUPPIXKWUKANY-WTGUMLROSA-N 2 3 362.562 1.055 20 0 FDADHP C[C@@H]1CCC[C@](CNC(=O)N(CCN(C)C)CC[NH+](C)C)([NH+](C)C)C1 ZINC000077785724 523466484 /nfs/dbraw/zinc/46/64/84/523466484.db2.gz INJVMCNFIAPQON-MJGOQNOKSA-N 2 3 355.571 1.632 20 0 FDADHP C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423296515 680787639 /nfs/dbraw/zinc/78/76/39/680787639.db2.gz HCNJDBRUJAGROL-LSDHHAIUSA-N 2 3 356.536 1.162 20 0 FDADHP CC(C)C[NH2+]C1(CO)CCN(CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000660697731 769378822 /nfs/dbraw/zinc/37/88/22/769378822.db2.gz JSGVLEMJVLHRTA-UHFFFAOYSA-N 2 3 354.583 1.475 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NCC3(C)CC[NH+](C)CC3)CC2)CC1 ZINC000376282756 787148329 /nfs/dbraw/zinc/14/83/29/787148329.db2.gz RXCDFWGVHUHKFM-UHFFFAOYSA-N 2 3 365.566 1.576 20 0 FDADHP O[C@@H]1CC[N@H+](Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000658136932 883716153 /nfs/dbraw/zinc/71/61/53/883716153.db2.gz JIKGNIKKMRNQEJ-FGZHOGPDSA-N 2 3 373.541 1.986 20 0 FDADHP O[C@@H]1CC[N@@H+](Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000658136932 883716161 /nfs/dbraw/zinc/71/61/61/883716161.db2.gz JIKGNIKKMRNQEJ-FGZHOGPDSA-N 2 3 373.541 1.986 20 0 FDADHP C[NH2+]Cc1ccccc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000652143214 1016763352 /nfs/dbraw/zinc/76/33/52/1016763352.db2.gz SDJMVQRYVHBZEI-UHFFFAOYSA-N 2 3 373.545 1.764 20 0 FDADHP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124495104 525002571 /nfs/dbraw/zinc/00/25/71/525002571.db2.gz BXKALDLBKHUTMZ-GIVPXCGWSA-N 2 3 366.594 1.739 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CCOCC[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000178717757 525469342 /nfs/dbraw/zinc/46/93/42/525469342.db2.gz ZXNJEJMFDYDUKX-IYWMVGAKSA-N 2 3 354.583 1.832 20 0 FDADHP C[C@@H]1C[C@H]([NH+](C)CCOCC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000178717757 525469351 /nfs/dbraw/zinc/46/93/51/525469351.db2.gz ZXNJEJMFDYDUKX-IYWMVGAKSA-N 2 3 354.583 1.832 20 0 FDADHP C[C@@H]1C[C@H]([N@@H+](C)CCOCC[NH+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000178717757 525469358 /nfs/dbraw/zinc/46/93/58/525469358.db2.gz ZXNJEJMFDYDUKX-IYWMVGAKSA-N 2 3 354.583 1.832 20 0 FDADHP C[C@@H]1C[C@H]([N@H+](C)CCOCC[NH+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000178717757 525469365 /nfs/dbraw/zinc/46/93/65/525469365.db2.gz ZXNJEJMFDYDUKX-IYWMVGAKSA-N 2 3 354.583 1.832 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000565646530 547429233 /nfs/dbraw/zinc/42/92/33/547429233.db2.gz CRVMICIUJLYFIG-GOSISDBHSA-N 2 3 365.566 1.622 20 0 FDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652349379 805216567 /nfs/dbraw/zinc/21/65/67/805216567.db2.gz MPIJRWWRIASAEN-JENIJYKNSA-N 2 3 366.550 1.194 20 0 FDADHP CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420328684 813618212 /nfs/dbraw/zinc/61/82/12/813618212.db2.gz MTEZUKUZFNSKLQ-HSALFYBXSA-N 2 3 358.530 1.727 20 0 FDADHP CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420328684 813618218 /nfs/dbraw/zinc/61/82/18/813618218.db2.gz MTEZUKUZFNSKLQ-HSALFYBXSA-N 2 3 358.530 1.727 20 0 FDADHP C[C@H]1CC([NH2+]CCN(CC[NH3+])N(O)N=O)C[C@H](C)N1Cc1ccccc1 ZINC001168037146 824056864 /nfs/dbraw/zinc/05/68/64/824056864.db2.gz WSYHGBXSAGVJGW-HOTGVXAUSA-N 2 3 364.494 1.566 20 0 FDADHP CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000262089491 837422364 /nfs/dbraw/zinc/42/23/64/837422364.db2.gz GTQPAHFSEXPZGH-OAQYLSRUSA-N 2 3 371.573 1.698 20 0 FDADHP CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000262089491 837422373 /nfs/dbraw/zinc/42/23/73/837422373.db2.gz GTQPAHFSEXPZGH-OAQYLSRUSA-N 2 3 371.573 1.698 20 0 FDADHP C[NH+](C)[C@@H]1C[C@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000654413568 902182702 /nfs/dbraw/zinc/18/27/02/902182702.db2.gz ZUTPCBKIURNJGN-RHNCMZPLSA-N 2 3 351.539 1.184 20 0 FDADHP O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647790224 1009923506 /nfs/dbraw/zinc/92/35/06/1009923506.db2.gz UTQRSZIJOLTQLN-PCCBWWKXSA-N 2 3 370.541 1.990 20 0 FDADHP O[C@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000245948295 178391932 /nfs/dbraw/zinc/39/19/32/178391932.db2.gz KWDOUOQCQJPZSP-AERCQKQUSA-N 2 3 364.578 1.183 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)CC1 ZINC000333950980 259396723 /nfs/dbraw/zinc/39/67/23/259396723.db2.gz YOYUFJAJUWSQDT-CRAIPNDOSA-N 2 3 351.539 1.362 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]([NH+](C)C)[C@@H]3C)CC2)CC1 ZINC000615303623 555189294 /nfs/dbraw/zinc/18/92/94/555189294.db2.gz UDEBIYSHHPGSGA-LPHOPBHVSA-N 2 3 350.551 1.734 20 0 FDADHP CN1CCN(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1(C)C ZINC000423095608 814961305 /nfs/dbraw/zinc/96/13/05/814961305.db2.gz FSMYIEWQIAYHFU-WIYYLYMNSA-N 2 3 358.530 1.858 20 0 FDADHP c1cc(N2CCN(CCCN3CCN(c4cc[nH+]cc4)CC3)CC2)cc[nH+]1 ZINC000151137247 832059902 /nfs/dbraw/zinc/05/99/02/832059902.db2.gz WCASOPNNBJOOAB-UHFFFAOYSA-N 2 3 366.513 1.811 20 0 FDADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)C1 ZINC000873232703 988662889 /nfs/dbraw/zinc/66/28/89/988662889.db2.gz XFPBMPCZOJOGMO-LMMKCTJWSA-N 2 3 350.551 1.803 20 0 FDADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)C1 ZINC000873232703 988662898 /nfs/dbraw/zinc/66/28/98/988662898.db2.gz XFPBMPCZOJOGMO-LMMKCTJWSA-N 2 3 350.551 1.803 20 0 FDADHP CN1CCCC(C)(C)[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875544908 991721340 /nfs/dbraw/zinc/72/13/40/991721340.db2.gz HNBKXMWIUDKVJR-KZNAEPCWSA-N 2 3 367.582 1.488 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@H]1C[NH+](C)C ZINC000877144657 993069226 /nfs/dbraw/zinc/06/92/26/993069226.db2.gz RSULPZREPXWIQA-HUUCEWRRSA-N 2 3 350.532 1.205 20 0 FDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649418197 1010336588 /nfs/dbraw/zinc/33/65/88/1010336588.db2.gz GOHPZFQPLMRSCL-MSOLQXFVSA-N 2 3 350.551 1.687 20 0 FDADHP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000154007493 525390236 /nfs/dbraw/zinc/39/02/36/525390236.db2.gz YYNMJZNLGCXXFB-ROUUACIJSA-N 2 3 369.598 1.878 20 0 FDADHP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414708121 537890650 /nfs/dbraw/zinc/89/06/50/537890650.db2.gz OUMONAXRZCOSSR-LJQANCHMSA-N 2 3 368.566 1.254 20 0 FDADHP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414708121 537890657 /nfs/dbraw/zinc/89/06/57/537890657.db2.gz OUMONAXRZCOSSR-LJQANCHMSA-N 2 3 368.566 1.254 20 0 FDADHP C[NH+](C)[C@@H]1CCCN(CCOCCN2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000370722612 677608828 /nfs/dbraw/zinc/60/88/28/677608828.db2.gz UFELTNWKBCPQRQ-BGYRXZFFSA-N 2 3 354.583 1.835 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CCC([NH+](C)C)CC3)CC2)CC1 ZINC000654761105 908714591 /nfs/dbraw/zinc/71/45/91/908714591.db2.gz KZBYNIBYEIFANP-UHFFFAOYSA-N 2 3 350.551 1.735 20 0 FDADHP C[NH+]1CC[C@@]2(CCN(CCOCCN3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000368351290 260169826 /nfs/dbraw/zinc/16/98/26/260169826.db2.gz DHHCRPFTOPXPSE-WOJBJXKFSA-N 2 3 350.551 1.058 20 0 FDADHP C[NH+]1CC[C@@]2(CCN(CCOCCN3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000368351290 260169827 /nfs/dbraw/zinc/16/98/27/260169827.db2.gz DHHCRPFTOPXPSE-WOJBJXKFSA-N 2 3 350.551 1.058 20 0 FDADHP NC[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000424307314 538277781 /nfs/dbraw/zinc/27/77/81/538277781.db2.gz XJKDNKWQEYOHNR-KVSKMBFKSA-N 2 3 362.493 1.448 20 0 FDADHP NC[C@H](C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000424307314 538277787 /nfs/dbraw/zinc/27/77/87/538277787.db2.gz XJKDNKWQEYOHNR-KVSKMBFKSA-N 2 3 362.493 1.448 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NCC3([NH3+])CCCCCC3)CC2)CC1 ZINC000568608385 548603187 /nfs/dbraw/zinc/60/31/87/548603187.db2.gz KUTQQYMMYQVFNU-UHFFFAOYSA-N 2 3 365.566 1.896 20 0 FDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000568609502 548604945 /nfs/dbraw/zinc/60/49/45/548604945.db2.gz IVQRBFCNHSMCDF-UHFFFAOYSA-N 2 3 365.566 1.275 20 0 FDADHP C[C@H]1C[C@@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000377925948 678653473 /nfs/dbraw/zinc/65/34/73/678653473.db2.gz MAQDPTCCSPVIQZ-ROUUACIJSA-N 2 3 350.551 1.783 20 0 FDADHP C[C@H]1C[C@@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC000377925948 678653477 /nfs/dbraw/zinc/65/34/77/678653477.db2.gz MAQDPTCCSPVIQZ-ROUUACIJSA-N 2 3 350.551 1.783 20 0 FDADHP CCN1CCN(CCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422860894 814880912 /nfs/dbraw/zinc/88/09/12/814880912.db2.gz MCZIJDPMLFIHJB-FPOVZHCZSA-N 2 3 358.530 1.860 20 0 FDADHP CCN1CC[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)CC1 ZINC000924659004 842939422 /nfs/dbraw/zinc/93/94/22/842939422.db2.gz JPRWNJTYOGAJMG-IHWFROFDSA-N 2 3 352.567 1.636 20 0 FDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810433562 940990535 /nfs/dbraw/zinc/99/05/35/940990535.db2.gz ARFBTACMBVJKLT-LJQANCHMSA-N 2 3 358.546 1.931 20 0 FDADHP O=C1O[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)CC12CC[NH2+]CC2 ZINC000925852250 995797333 /nfs/dbraw/zinc/79/73/33/995797333.db2.gz HMETXIITZLXRNX-FQEVSTJZSA-N 2 3 371.525 1.968 20 0 FDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000570271592 549219295 /nfs/dbraw/zinc/21/92/95/549219295.db2.gz BJMFQMUEYDCHRX-LSTHTHJFSA-N 2 3 358.530 1.862 20 0 FDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000570271592 549219297 /nfs/dbraw/zinc/21/92/97/549219297.db2.gz BJMFQMUEYDCHRX-LSTHTHJFSA-N 2 3 358.530 1.862 20 0 FDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000575120278 550428864 /nfs/dbraw/zinc/42/88/64/550428864.db2.gz YEEOFFFSQALBFN-LJQANCHMSA-N 2 3 367.582 1.918 20 0 FDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000575120278 550428865 /nfs/dbraw/zinc/42/88/65/550428865.db2.gz YEEOFFFSQALBFN-LJQANCHMSA-N 2 3 367.582 1.918 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000576596027 550566502 /nfs/dbraw/zinc/56/65/02/550566502.db2.gz SNZWPNGDPUQTSY-VQTJNVASSA-N 2 3 362.562 1.926 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000576596027 550566504 /nfs/dbraw/zinc/56/65/04/550566504.db2.gz SNZWPNGDPUQTSY-VQTJNVASSA-N 2 3 362.562 1.926 20 0 FDADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000581125321 551054510 /nfs/dbraw/zinc/05/45/10/551054510.db2.gz LUPMEQXSSDYRGA-OXJNMPFZSA-N 2 3 358.530 1.862 20 0 FDADHP C[NH+](C)CCN1CCC(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655716921 827616586 /nfs/dbraw/zinc/61/65/86/827616586.db2.gz QEGDXHRHNULBRM-FQEVSTJZSA-N 2 3 352.567 1.493 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CCC([NH+]4CCC4)CC3)CC2)CC1 ZINC000912873418 860948635 /nfs/dbraw/zinc/94/86/35/860948635.db2.gz MYQFQDHGBGVTAE-UHFFFAOYSA-N 2 3 362.562 1.879 20 0 FDADHP CCN1CCN(CCNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000849062318 977299003 /nfs/dbraw/zinc/29/90/03/977299003.db2.gz NQRUCOUCYXAJGK-UHFFFAOYSA-N 2 3 372.561 1.402 20 0 FDADHP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414708118 537891056 /nfs/dbraw/zinc/89/10/56/537891056.db2.gz OUMONAXRZCOSSR-IBGZPJMESA-N 2 3 368.566 1.254 20 0 FDADHP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414708118 537891063 /nfs/dbraw/zinc/89/10/63/537891063.db2.gz OUMONAXRZCOSSR-IBGZPJMESA-N 2 3 368.566 1.254 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000567661117 548199022 /nfs/dbraw/zinc/19/90/22/548199022.db2.gz SLLMUMDFOYKZAR-LJQANCHMSA-N 2 3 367.582 1.776 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000567661117 548199025 /nfs/dbraw/zinc/19/90/25/548199025.db2.gz SLLMUMDFOYKZAR-LJQANCHMSA-N 2 3 367.582 1.776 20 0 FDADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000581125320 551054389 /nfs/dbraw/zinc/05/43/89/551054389.db2.gz LUPMEQXSSDYRGA-JXFKEZNVSA-N 2 3 358.530 1.862 20 0 FDADHP CCC(CC)[NH2+]CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892522183 786732029 /nfs/dbraw/zinc/73/20/29/786732029.db2.gz SGCQQCNAMKPAAO-UHFFFAOYSA-N 2 3 353.555 1.622 20 0 FDADHP CCN1CCN([C@H](C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422859335 814879418 /nfs/dbraw/zinc/87/94/18/814879418.db2.gz JTWHBMPUNGGLHJ-SLYNCCJLSA-N 2 3 358.530 1.858 20 0 FDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000360870578 988187315 /nfs/dbraw/zinc/18/73/15/988187315.db2.gz IDHXSCIVFQEFDV-NJDAHSKKSA-N 2 3 366.594 1.883 20 0 FDADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925718521 995731793 /nfs/dbraw/zinc/73/17/93/995731793.db2.gz XIMGSKRHVANPNZ-RBUKOAKNSA-N 2 3 350.551 1.735 20 0 FDADHP C[NH+]1CCC[C@@H]2CN(C[C@H](O)CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000248744120 537210468 /nfs/dbraw/zinc/21/04/68/537210468.db2.gz RIZJZSKKHVAEBO-SSSFQFABSA-N 2 3 364.578 1.180 20 0 FDADHP C[NH+]1CCC[C@@H]2CN(C[C@H](O)CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000248744120 537210469 /nfs/dbraw/zinc/21/04/69/537210469.db2.gz RIZJZSKKHVAEBO-SSSFQFABSA-N 2 3 364.578 1.180 20 0 FDADHP C[NH+]1CCC[C@@H]2CN(C[C@@H](O)CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@@H]21 ZINC000248744120 537210471 /nfs/dbraw/zinc/21/04/71/537210471.db2.gz RIZJZSKKHVAEBO-SSSFQFABSA-N 2 3 364.578 1.180 20 0 FDADHP C[NH+]1CCC[C@@H]2CN(C[C@@H](O)CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@@H]21 ZINC000248744120 537210472 /nfs/dbraw/zinc/21/04/72/537210472.db2.gz RIZJZSKKHVAEBO-SSSFQFABSA-N 2 3 364.578 1.180 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)CC2)CC1 ZINC000660572397 800494440 /nfs/dbraw/zinc/49/44/40/800494440.db2.gz BXKQVVOYLOMUAO-KRWDZBQOSA-N 2 3 365.566 1.717 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[N@H+](C(C)(C)C)C3)CC2)CC1 ZINC000660572397 800494445 /nfs/dbraw/zinc/49/44/45/800494445.db2.gz BXKQVVOYLOMUAO-KRWDZBQOSA-N 2 3 365.566 1.717 20 0 FDADHP C[C@@H]1CC([NH2+]CCN(CC[NH3+])N(O)N=O)C[C@@H](C)N1Cc1ccccc1 ZINC001168037149 824056265 /nfs/dbraw/zinc/05/62/65/824056265.db2.gz WSYHGBXSAGVJGW-HZPDHXFCSA-N 2 3 364.494 1.566 20 0 FDADHP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@H](C)C1 ZINC000925856882 995799417 /nfs/dbraw/zinc/79/94/17/995799417.db2.gz XRXCPNAGTJLKTN-SQNIBIBYSA-N 2 3 367.534 1.398 20 0 FDADHP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@H](C)C1 ZINC000925856882 995799422 /nfs/dbraw/zinc/79/94/22/995799422.db2.gz XRXCPNAGTJLKTN-SQNIBIBYSA-N 2 3 367.534 1.398 20 0 FDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652349381 1016956360 /nfs/dbraw/zinc/95/63/60/1016956360.db2.gz MPIJRWWRIASAEN-SCTDSRPQSA-N 2 3 366.550 1.194 20 0 FDADHP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000533458740 540250541 /nfs/dbraw/zinc/25/05/41/540250541.db2.gz IXHUPAVBCRBITB-SFHVURJKSA-N 2 3 355.571 1.489 20 0 FDADHP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000533458740 540250544 /nfs/dbraw/zinc/25/05/44/540250544.db2.gz IXHUPAVBCRBITB-SFHVURJKSA-N 2 3 355.571 1.489 20 0 FDADHP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000176048359 174046616 /nfs/dbraw/zinc/04/66/16/174046616.db2.gz PGFMJPYUROUCKD-IEBWSBKVSA-N 2 3 365.566 1.717 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C[NH+](C)C)C3)CC2)CC1 ZINC000553223198 543590406 /nfs/dbraw/zinc/59/04/06/543590406.db2.gz WPJBNBQOOZUECR-KRWDZBQOSA-N 2 3 350.551 1.593 20 0 FDADHP C[NH+](C)[C@@H]1CCCN(CC2(CN3CCC[C@H]([NH+](C)C)CC3)COC2)CC1 ZINC000365404309 568622858 /nfs/dbraw/zinc/62/28/58/568622858.db2.gz OYURYBMQFNQPKL-BGYRXZFFSA-N 2 3 366.594 1.835 20 0 FDADHP C[C@H](C[NH3+])CN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423296514 680787748 /nfs/dbraw/zinc/78/77/48/680787748.db2.gz HCNJDBRUJAGROL-HUUCEWRRSA-N 2 3 356.536 1.162 20 0 FDADHP CCC[N@H+](C)CC(C)(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000663877317 809974072 /nfs/dbraw/zinc/97/40/72/809974072.db2.gz UXBPTYKLWOUKON-UHFFFAOYSA-N 2 3 367.582 1.965 20 0 FDADHP CCC[N@@H+](C)CC(C)(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000663877317 809974076 /nfs/dbraw/zinc/97/40/76/809974076.db2.gz UXBPTYKLWOUKON-UHFFFAOYSA-N 2 3 367.582 1.965 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)CC1 ZINC000262274404 837503591 /nfs/dbraw/zinc/50/35/91/837503591.db2.gz KVCAFORROVTUFQ-HLVUACMISA-N 2 3 362.562 1.815 20 0 FDADHP CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147979477 952582822 /nfs/dbraw/zinc/58/28/22/952582822.db2.gz CEEYQNXXDGBEBD-UHFFFAOYSA-N 2 3 360.506 1.397 20 0 FDADHP COCCN(C)CCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849071222 977302216 /nfs/dbraw/zinc/30/22/16/977302216.db2.gz WFZTXKCKOXIRCE-UHFFFAOYSA-N 2 3 361.534 1.733 20 0 FDADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925718520 995732067 /nfs/dbraw/zinc/73/20/67/995732067.db2.gz XIMGSKRHVANPNZ-OALUTQOASA-N 2 3 350.551 1.735 20 0 FDADHP O=C1O[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)CC12CC[NH2+]CC2 ZINC000925852258 995797461 /nfs/dbraw/zinc/79/74/61/995797461.db2.gz HMETXIITZLXRNX-HXUWFJFHSA-N 2 3 371.525 1.968 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000374000603 261063063 /nfs/dbraw/zinc/06/30/63/261063063.db2.gz FLWZUCDUAKVPTE-MJGOQNOKSA-N 2 3 363.550 1.471 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000374000603 261063064 /nfs/dbraw/zinc/06/30/64/261063064.db2.gz FLWZUCDUAKVPTE-MJGOQNOKSA-N 2 3 363.550 1.471 20 0 FDADHP NC[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000424307319 538277543 /nfs/dbraw/zinc/27/75/43/538277543.db2.gz XJKDNKWQEYOHNR-WDYCEAGBSA-N 2 3 362.493 1.448 20 0 FDADHP NC[C@H](C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000424307319 538277545 /nfs/dbraw/zinc/27/75/45/538277545.db2.gz XJKDNKWQEYOHNR-WDYCEAGBSA-N 2 3 362.493 1.448 20 0 FDADHP O=C(NC[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1)[C@H]1CCC[NH2+]1 ZINC000570286392 549225934 /nfs/dbraw/zinc/22/59/34/549225934.db2.gz SRFJTWBMKZGGNJ-FXAWDEMLSA-N 2 3 356.514 1.413 20 0 FDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627132315 557283882 /nfs/dbraw/zinc/28/38/82/557283882.db2.gz GMPMRTGNXXYIEN-IRXDYDNUSA-N 2 3 351.539 1.329 20 0 FDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627132315 557283884 /nfs/dbraw/zinc/28/38/84/557283884.db2.gz GMPMRTGNXXYIEN-IRXDYDNUSA-N 2 3 351.539 1.329 20 0 FDADHP CN1CCN(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1(C)C ZINC000423095607 814961251 /nfs/dbraw/zinc/96/12/51/814961251.db2.gz FSMYIEWQIAYHFU-RXVVDRJESA-N 2 3 358.530 1.858 20 0 FDADHP CC[NH+]1CCC(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000501027102 811963928 /nfs/dbraw/zinc/96/39/28/811963928.db2.gz JWGYBHBNXXWUMD-UHFFFAOYSA-N 2 3 373.545 1.830 20 0 FDADHP CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168319820 841488467 /nfs/dbraw/zinc/48/84/67/841488467.db2.gz ZUDVWYMVXIQDMP-UHFFFAOYSA-N 2 3 360.546 1.683 20 0 FDADHP CN(C)CCn1c(=O)ccc2c1CC[N@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168319820 841488472 /nfs/dbraw/zinc/48/84/72/841488472.db2.gz ZUDVWYMVXIQDMP-UHFFFAOYSA-N 2 3 360.546 1.683 20 0 FDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000849069031 977300615 /nfs/dbraw/zinc/30/06/15/977300615.db2.gz ZTDYHKIVYDKEBT-GOSISDBHSA-N 2 3 361.534 1.768 20 0 FDADHP O=C1O[C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC12CC[NH2+]CC2 ZINC000925849860 995796108 /nfs/dbraw/zinc/79/61/08/995796108.db2.gz RCAAPFSSODUVHK-LUQKVYGDSA-N 2 3 371.481 1.517 20 0 FDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000154522221 525560003 /nfs/dbraw/zinc/56/00/03/525560003.db2.gz IDHXSCIVFQEFDV-PCCBWWKXSA-N 2 3 366.594 1.883 20 0 FDADHP CC[N@H+](C)C[C@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000581960585 551155972 /nfs/dbraw/zinc/15/59/72/551155972.db2.gz GJCACCBMSYBLOF-GOSISDBHSA-N 2 3 364.578 1.983 20 0 FDADHP CC[N@@H+](C)C[C@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000581960585 551155974 /nfs/dbraw/zinc/15/59/74/551155974.db2.gz GJCACCBMSYBLOF-GOSISDBHSA-N 2 3 364.578 1.983 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]([NH+](C)C)[C@H]3C)CC2)CC1 ZINC000615303622 555189290 /nfs/dbraw/zinc/18/92/90/555189290.db2.gz UDEBIYSHHPGSGA-APWZRJJASA-N 2 3 350.551 1.734 20 0 FDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2c(s1)CCNC2 ZINC000662473048 806701392 /nfs/dbraw/zinc/70/13/92/806701392.db2.gz GITWGAGUEHEUDV-UHFFFAOYSA-N 2 3 352.548 1.739 20 0 FDADHP CCN1CCN([C@H](C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422859329 814880084 /nfs/dbraw/zinc/88/00/84/814880084.db2.gz JTWHBMPUNGGLHJ-LMNJBCLMSA-N 2 3 358.530 1.858 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000523309004 828172998 /nfs/dbraw/zinc/17/29/98/828172998.db2.gz MFGZBXUMQKUTOV-OALUTQOASA-N 2 3 363.550 1.471 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000523309004 828173002 /nfs/dbraw/zinc/17/30/02/828173002.db2.gz MFGZBXUMQKUTOV-OALUTQOASA-N 2 3 363.550 1.471 20 0 FDADHP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000924999713 995227098 /nfs/dbraw/zinc/22/70/98/995227098.db2.gz KVGRGILBVIMEBY-JQKXYWIWSA-N 2 3 370.541 1.814 20 0 FDADHP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000924999713 995227107 /nfs/dbraw/zinc/22/71/07/995227107.db2.gz KVGRGILBVIMEBY-JQKXYWIWSA-N 2 3 370.541 1.814 20 0 FDADHP C[NH+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000924999713 995227121 /nfs/dbraw/zinc/22/71/21/995227121.db2.gz KVGRGILBVIMEBY-JQKXYWIWSA-N 2 3 370.541 1.814 20 0 FDADHP C[NH+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000924999713 995227131 /nfs/dbraw/zinc/22/71/31/995227131.db2.gz KVGRGILBVIMEBY-JQKXYWIWSA-N 2 3 370.541 1.814 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)CC1 ZINC000333950982 259396511 /nfs/dbraw/zinc/39/65/11/259396511.db2.gz YOYUFJAJUWSQDT-QAPCUYQASA-N 2 3 351.539 1.362 20 0 FDADHP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000364390553 259745000 /nfs/dbraw/zinc/74/50/00/259745000.db2.gz PQDLWLDTLVQRBY-OALUTQOASA-N 2 3 358.534 1.892 20 0 FDADHP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000364390553 259745001 /nfs/dbraw/zinc/74/50/01/259745001.db2.gz PQDLWLDTLVQRBY-OALUTQOASA-N 2 3 358.534 1.892 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000374080466 261075638 /nfs/dbraw/zinc/07/56/38/261075638.db2.gz RPDCKTCNHPUGLB-GUDVDZBRSA-N 2 3 365.566 1.671 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000374080466 261075640 /nfs/dbraw/zinc/07/56/40/261075640.db2.gz RPDCKTCNHPUGLB-GUDVDZBRSA-N 2 3 365.566 1.671 20 0 FDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374080466 261075641 /nfs/dbraw/zinc/07/56/41/261075641.db2.gz RPDCKTCNHPUGLB-GUDVDZBRSA-N 2 3 365.566 1.671 20 0 FDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374080466 261075643 /nfs/dbraw/zinc/07/56/43/261075643.db2.gz RPDCKTCNHPUGLB-GUDVDZBRSA-N 2 3 365.566 1.671 20 0 FDADHP C[NH2+]CCOc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000884206231 982981696 /nfs/dbraw/zinc/98/16/96/982981696.db2.gz PLRDUOPHWBWOOZ-UHFFFAOYSA-N 2 3 374.529 1.573 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176601049 525151089 /nfs/dbraw/zinc/15/10/89/525151089.db2.gz WYWAYSIPKMDJKN-CEXWTWQISA-N 2 3 367.582 1.917 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176601049 525151096 /nfs/dbraw/zinc/15/10/96/525151096.db2.gz WYWAYSIPKMDJKN-CEXWTWQISA-N 2 3 367.582 1.917 20 0 FDADHP [NH3+]C1CCN(CCCC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000433136129 538202402 /nfs/dbraw/zinc/20/24/02/538202402.db2.gz KRXNSEOVAOMITD-HXUWFJFHSA-N 2 3 358.530 1.971 20 0 FDADHP [NH3+]C1CCN(CCCC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000433136129 538202405 /nfs/dbraw/zinc/20/24/05/538202405.db2.gz KRXNSEOVAOMITD-HXUWFJFHSA-N 2 3 358.530 1.971 20 0 FDADHP COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000576280310 550531467 /nfs/dbraw/zinc/53/14/67/550531467.db2.gz JFHUWFMQFFHYIP-HQRMLTQVSA-N 2 3 374.529 1.318 20 0 FDADHP COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000576280310 550531469 /nfs/dbraw/zinc/53/14/69/550531469.db2.gz JFHUWFMQFFHYIP-HQRMLTQVSA-N 2 3 374.529 1.318 20 0 FDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612973044 554866573 /nfs/dbraw/zinc/86/65/73/554866573.db2.gz BOTSJBBXZQBHTB-IRXDYDNUSA-N 2 3 351.539 1.186 20 0 FDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612973044 554866575 /nfs/dbraw/zinc/86/65/75/554866575.db2.gz BOTSJBBXZQBHTB-IRXDYDNUSA-N 2 3 351.539 1.186 20 0 FDADHP C[C@H](C[NH3+])CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423296512 680787667 /nfs/dbraw/zinc/78/76/67/680787667.db2.gz HCNJDBRUJAGROL-CABCVRRESA-N 2 3 356.536 1.162 20 0 FDADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652350048 805248757 /nfs/dbraw/zinc/24/87/57/805248757.db2.gz BWTUNWZBDVDATP-SLFFLAALSA-N 2 3 352.567 1.621 20 0 FDADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652350048 805248766 /nfs/dbraw/zinc/24/87/66/805248766.db2.gz BWTUNWZBDVDATP-SLFFLAALSA-N 2 3 352.567 1.621 20 0 FDADHP COCCCN1CCC([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)CC1 ZINC001172248431 961593990 /nfs/dbraw/zinc/59/39/90/961593990.db2.gz HJGPQRHWMWBMJA-QAQDUYKDSA-N 2 3 354.539 1.066 20 0 FDADHP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@H](C)C1 ZINC000925856880 995798849 /nfs/dbraw/zinc/79/88/49/995798849.db2.gz XRXCPNAGTJLKTN-KURKYZTESA-N 2 3 367.534 1.398 20 0 FDADHP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@H](C)C1 ZINC000925856880 995798855 /nfs/dbraw/zinc/79/88/55/995798855.db2.gz XRXCPNAGTJLKTN-KURKYZTESA-N 2 3 367.534 1.398 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247199302 537093226 /nfs/dbraw/zinc/09/32/26/537093226.db2.gz WYWAYSIPKMDJKN-GBESFXJTSA-N 2 3 367.582 1.917 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247199302 537093230 /nfs/dbraw/zinc/09/32/30/537093230.db2.gz WYWAYSIPKMDJKN-GBESFXJTSA-N 2 3 367.582 1.917 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000565646540 547430251 /nfs/dbraw/zinc/43/02/51/547430251.db2.gz CRVMICIUJLYFIG-SFHVURJKSA-N 2 3 365.566 1.622 20 0 FDADHP C[NH+](C)[C@@H]1CCCN(CC2(CN3CCC[C@@H]([NH+](C)C)CC3)COC2)CC1 ZINC000365404315 568622986 /nfs/dbraw/zinc/62/29/86/568622986.db2.gz OYURYBMQFNQPKL-WOJBJXKFSA-N 2 3 366.594 1.835 20 0 FDADHP C[NH+]1CCC(N2CCC(NC(=O)NCCC[NH+]3CCCC3)CC2)CC1 ZINC000514034763 689718235 /nfs/dbraw/zinc/71/82/35/689718235.db2.gz OLYVAMMTYMSVBX-UHFFFAOYSA-N 2 3 351.539 1.330 20 0 FDADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2NCCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000892112635 781575499 /nfs/dbraw/zinc/57/54/99/781575499.db2.gz LNOPGYWJXUXIPH-GGPKGHCWSA-N 2 3 373.545 1.254 20 0 FDADHP CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652363933 805297060 /nfs/dbraw/zinc/29/70/60/805297060.db2.gz SLOOHJHMIXULEN-ZCNNSNEGSA-N 2 3 352.567 1.763 20 0 FDADHP CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652363933 805297067 /nfs/dbraw/zinc/29/70/67/805297067.db2.gz SLOOHJHMIXULEN-ZCNNSNEGSA-N 2 3 352.567 1.763 20 0 FDADHP CCOCCCN1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H](C)C1 ZINC000423518842 815109959 /nfs/dbraw/zinc/10/99/59/815109959.db2.gz PISRYSVFNBGSRO-WCHWRFHJSA-N 2 3 366.594 1.929 20 0 FDADHP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000924999708 995226933 /nfs/dbraw/zinc/22/69/33/995226933.db2.gz KVGRGILBVIMEBY-HWPVKAJDSA-N 2 3 370.541 1.814 20 0 FDADHP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000924999708 995226943 /nfs/dbraw/zinc/22/69/43/995226943.db2.gz KVGRGILBVIMEBY-HWPVKAJDSA-N 2 3 370.541 1.814 20 0 FDADHP C[NH+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000924999708 995226954 /nfs/dbraw/zinc/22/69/54/995226954.db2.gz KVGRGILBVIMEBY-HWPVKAJDSA-N 2 3 370.541 1.814 20 0 FDADHP C[NH+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000924999708 995226965 /nfs/dbraw/zinc/22/69/65/995226965.db2.gz KVGRGILBVIMEBY-HWPVKAJDSA-N 2 3 370.541 1.814 20 0 FDADHP C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541905286 541295293 /nfs/dbraw/zinc/29/52/93/541295293.db2.gz VUQWCMBZPXFVHT-QZTJIDSGSA-N 2 3 367.582 1.774 20 0 FDADHP C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541905286 541295294 /nfs/dbraw/zinc/29/52/94/541295294.db2.gz VUQWCMBZPXFVHT-QZTJIDSGSA-N 2 3 367.582 1.774 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C[NH+](C)C)C3)CC2)CC1 ZINC000553223199 543590180 /nfs/dbraw/zinc/59/01/80/543590180.db2.gz WPJBNBQOOZUECR-QGZVFWFLSA-N 2 3 350.551 1.593 20 0 FDADHP C[C@H]1CC2(C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC[NH2+]CC2 ZINC000424301720 538275644 /nfs/dbraw/zinc/27/56/44/538275644.db2.gz YDZQCEULQVTEFT-HKUYNNGSSA-N 2 3 358.530 1.870 20 0 FDADHP C[C@H]1CC2(C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC[NH2+]CC2 ZINC000424301720 538275651 /nfs/dbraw/zinc/27/56/51/538275651.db2.gz YDZQCEULQVTEFT-HKUYNNGSSA-N 2 3 358.530 1.870 20 0 FDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000607226943 554135306 /nfs/dbraw/zinc/13/53/06/554135306.db2.gz KSZQMGQISRCBDT-UHFFFAOYSA-N 2 3 355.571 1.776 20 0 FDADHP O[C@@H]1CC[N@H+](Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655750593 772552843 /nfs/dbraw/zinc/55/28/43/772552843.db2.gz CTNBMVLIXREGRP-FGZHOGPDSA-N 2 3 373.541 1.986 20 0 FDADHP O[C@@H]1CC[N@@H+](Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655750593 772552845 /nfs/dbraw/zinc/55/28/45/772552845.db2.gz CTNBMVLIXREGRP-FGZHOGPDSA-N 2 3 373.541 1.986 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C[NH+](C)C)CC3)CC2)CC1 ZINC000553141890 543575795 /nfs/dbraw/zinc/57/57/95/543575795.db2.gz FUFMPMTZFZVCDZ-UHFFFAOYSA-N 2 3 364.578 1.983 20 0 FDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418760014 537762248 /nfs/dbraw/zinc/76/22/48/537762248.db2.gz AIAVBECEHVONCS-FCGDIQPGSA-N 2 3 365.566 1.432 20 0 FDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418760014 537762251 /nfs/dbraw/zinc/76/22/51/537762251.db2.gz AIAVBECEHVONCS-FCGDIQPGSA-N 2 3 365.566 1.432 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000576596025 550566427 /nfs/dbraw/zinc/56/64/27/550566427.db2.gz SNZWPNGDPUQTSY-UXHICEINSA-N 2 3 362.562 1.926 20 0 FDADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000576596025 550566429 /nfs/dbraw/zinc/56/64/29/550566429.db2.gz SNZWPNGDPUQTSY-UXHICEINSA-N 2 3 362.562 1.926 20 0 FDADHP C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423296513 680787702 /nfs/dbraw/zinc/78/77/02/680787702.db2.gz HCNJDBRUJAGROL-GJZGRUSLSA-N 2 3 356.536 1.162 20 0 FDADHP