smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000020623029 195190667 /nfs/dbraw/zinc/19/06/67/195190667.db2.gz HPVCXTXHVPITLV-CLCOLTQESA-N 1 1 460.578 3.083 50 10 JGCAMO COc1ccc(CN2C(=O)NC(=O)C(=CNCCC3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000020649624 195195652 /nfs/dbraw/zinc/19/56/52/195195652.db2.gz BRVLPZVTDIJKEM-ULJHMMPZSA-N 1 1 476.577 3.049 50 10 JGCAMO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccc(N2CCOCC2)cc1 ZINC000008747583 554650599 /nfs/dbraw/zinc/65/05/99/554650599.db2.gz NXVNPQMWXLMKKL-UHFFFAOYSA-N 1 1 474.487 3.193 50 10 JGCAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccc(N2CCOCC2)cc1 ZINC000008747583 554650601 /nfs/dbraw/zinc/65/06/01/554650601.db2.gz NXVNPQMWXLMKKL-UHFFFAOYSA-N 1 1 474.487 3.193 50 10 JGCAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)C(=O)N3CCCCC3)CC2)cc1 ZINC000009611881 555444080 /nfs/dbraw/zinc/44/40/80/555444080.db2.gz UXPIKNOXRUWTBN-XXBNENTESA-N 1 1 470.639 3.137 50 10 JGCAMO COc1ccc(N2CCN(c3ncc4c(n3)CC[N@@H+](Cc3ccc(N(C)C)cc3)C4)CC2)cc1 ZINC000015779454 555997933 /nfs/dbraw/zinc/99/79/33/555997933.db2.gz PEUREPJEUXOJMY-UHFFFAOYSA-N 1 1 458.610 3.436 50 10 JGCAMO COc1ccc(N2CCN(c3ncc4c(n3)CC[N@H+](Cc3ccc(N(C)C)cc3)C4)CC2)cc1 ZINC000015779454 555997936 /nfs/dbraw/zinc/99/79/36/555997936.db2.gz PEUREPJEUXOJMY-UHFFFAOYSA-N 1 1 458.610 3.436 50 10 JGCAMO Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(N3CC[NH+](C)CC3)nc12 ZINC000026688444 556259641 /nfs/dbraw/zinc/25/96/41/556259641.db2.gz HOVQWWWEIFPSIZ-XDJHFCHBSA-N 1 1 483.663 3.289 50 10 JGCAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000034740626 569655544 /nfs/dbraw/zinc/65/55/44/569655544.db2.gz WMUJUZOPCDMJGR-RCZVLFRGSA-N 1 1 469.626 3.098 50 10 JGCAMO COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCCC[NH+]5CCOCC5)cc43)CC2)cc1 ZINC000065001990 524437764 /nfs/dbraw/zinc/43/77/64/524437764.db2.gz VRPBJYLBOHLGTF-UHFFFAOYSA-N 1 1 489.620 3.022 50 10 JGCAMO CCOc1cccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1O ZINC000015067896 555868037 /nfs/dbraw/zinc/86/80/37/555868037.db2.gz ADROICAFJKINQH-OAQYLSRUSA-N 1 1 478.597 3.353 50 10 JGCAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCOCC3)[N@@H+](Cc3cccc(OC)c3O)C2)cc1 ZINC000012165352 555932817 /nfs/dbraw/zinc/93/28/17/555932817.db2.gz UAZODTRSVAHZHM-RTWAWAEBSA-N 1 1 458.580 3.003 50 10 JGCAMO COc1ccc2ccc(O)c(C[NH+]3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)c2c1 ZINC000023967974 556108034 /nfs/dbraw/zinc/10/80/34/556108034.db2.gz MJUJDDKLYMWZDD-UHFFFAOYSA-N 1 1 484.574 3.222 50 10 JGCAMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC=C(c4cnn(-c5ccc(F)cc5)c4)CC3)CC2)cc1 ZINC000035404589 569691625 /nfs/dbraw/zinc/69/16/25/569691625.db2.gz ANAFUKGTRLEXDQ-UHFFFAOYSA-N 1 1 475.568 3.458 50 10 JGCAMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC=C(c4cnn(-c5ccc(F)cc5)c4)CC3)CC2)cc1 ZINC000035404589 569691626 /nfs/dbraw/zinc/69/16/26/569691626.db2.gz ANAFUKGTRLEXDQ-UHFFFAOYSA-N 1 1 475.568 3.458 50 10 JGCAMO COc1ccc(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NCc2nonc2C)c(O)c1 ZINC000014996880 524042945 /nfs/dbraw/zinc/04/29/45/524042945.db2.gz RSHFBGALNFZUQY-CTNGQTDRSA-N 1 1 472.542 3.283 50 10 JGCAMO COc1ccc(C[N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NCc2nonc2C)c(O)c1 ZINC000014996880 524042948 /nfs/dbraw/zinc/04/29/48/524042948.db2.gz RSHFBGALNFZUQY-CTNGQTDRSA-N 1 1 472.542 3.283 50 10 JGCAMO Cc1ccc2nc(N3CC[NH+](C)CC3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 ZINC000002326212 554149478 /nfs/dbraw/zinc/14/94/78/554149478.db2.gz UQEQIEPXEJJOKI-RGEXLXHISA-N 1 1 483.663 3.289 50 10 JGCAMO COc1ccc(N2CCN(C3=[NH+][C@H](c4ccc(Cl)cc4)n4c(=O)cc(C)nc4N3)CC2)cc1 ZINC000008993661 554853947 /nfs/dbraw/zinc/85/39/47/554853947.db2.gz AXPFDQTWMINAEL-QFIPXVFZSA-N 1 1 464.957 3.364 50 10 JGCAMO CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCC(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000009434113 555204900 /nfs/dbraw/zinc/20/49/00/555204900.db2.gz ZXOGONLHNSWSJF-MOKUSBMGSA-N 1 1 459.637 3.063 50 10 JGCAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCc3ccco3)CC2)cc1 ZINC000020289396 555760634 /nfs/dbraw/zinc/76/06/34/555760634.db2.gz QAXOVMMDPXUGKF-WZONZLPQSA-N 1 1 482.606 3.034 50 10 JGCAMO CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022999025 555999207 /nfs/dbraw/zinc/99/92/07/555999207.db2.gz LBWSVHGQSHYRTG-VWLOTQADSA-N 1 1 491.661 3.110 50 10 JGCAMO COC(=O)c1c(OCCc2ccsc2)cc(=O)n2c1CC[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000023130218 556019257 /nfs/dbraw/zinc/01/92/57/556019257.db2.gz OBHNBKVRJXQDFY-UHFFFAOYSA-N 1 1 481.618 3.442 50 10 JGCAMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc4nc5ccc(Cl)cc5c(=O)n4c3)CC2)cc1 ZINC000063709777 569616005 /nfs/dbraw/zinc/61/60/05/569616005.db2.gz UUHBPGQNHOQRCS-UHFFFAOYSA-N 1 1 491.979 3.062 50 10 JGCAMO CCCCCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CC[NH+](C)CC2)SC1=S ZINC000034890201 569669368 /nfs/dbraw/zinc/66/93/68/569669368.db2.gz MOOCJONDJISUOY-OBGWFSINSA-N 1 1 471.652 3.146 50 10 JGCAMO COc1ccc(N2CC[NH+](Cc3coc(=O)c(C[N@H+]4CCc5ccccc5C4)c3[O-])CC2)cc1 ZINC000101374184 569795067 /nfs/dbraw/zinc/79/50/67/569795067.db2.gz GEWFHTRHKLCFSJ-UHFFFAOYSA-N 1 1 461.562 3.235 50 10 JGCAMO C[N@@H+]1C[C@H](c2ccccn2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000245327822 570065565 /nfs/dbraw/zinc/06/55/65/570065565.db2.gz RNVQQSNUVRKHEQ-GAZXMLTASA-N 1 1 476.583 3.351 50 10 JGCAMO C[N@H+]1C[C@H](c2ccccn2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000245327822 570065567 /nfs/dbraw/zinc/06/55/67/570065567.db2.gz RNVQQSNUVRKHEQ-GAZXMLTASA-N 1 1 476.583 3.351 50 10 JGCAMO C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](C)CC2)SC1=S ZINC000001464548 194124262 /nfs/dbraw/zinc/12/42/62/194124262.db2.gz VQSOHBCOFWHKJD-IMGOXIFKSA-N 1 1 491.642 3.409 50 10 JGCAMO COC(=O)c1c(OC2Cc3ccccc3C2)cc(=O)n2c1CC[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000014990614 521775108 /nfs/dbraw/zinc/77/51/08/521775108.db2.gz XNHBURVZRPWXGJ-UHFFFAOYSA-N 1 1 487.600 3.305 50 10 JGCAMO CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCC[NH+]3CCOCC3)C2=O)cc1 ZINC000009339730 555108385 /nfs/dbraw/zinc/10/83/85/555108385.db2.gz WTSYYCPHHPSDJS-JZJYNLBNSA-N 1 1 461.653 3.069 50 10 JGCAMO O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CC[NH+](CCc2ccccn2)CC1 ZINC000009410036 555175644 /nfs/dbraw/zinc/17/56/44/555175644.db2.gz IKYOWEAABNBDCJ-UZYVYHOESA-N 1 1 466.632 3.060 50 10 JGCAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)C(=O)N3CCCCC3)CC2)cc1 ZINC000009611882 555444100 /nfs/dbraw/zinc/44/41/00/555444100.db2.gz UXPIKNOXRUWTBN-WMZHIEFXSA-N 1 1 470.639 3.137 50 10 JGCAMO CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000019862670 555520559 /nfs/dbraw/zinc/52/05/59/555520559.db2.gz ZXOGONLHNSWSJF-JEEWHQRCSA-N 1 1 459.637 3.063 50 10 JGCAMO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC000011913053 555862408 /nfs/dbraw/zinc/86/24/08/555862408.db2.gz ODIZPXAPFWCNNR-NRFANRHFSA-N 1 1 474.609 3.193 50 10 JGCAMO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cc(I)cc(I)c1O ZINC000023471823 556074002 /nfs/dbraw/zinc/07/40/02/556074002.db2.gz DLZHTPPATMZKII-YGRLFVJLSA-N 1 1 498.146 3.270 50 10 JGCAMO C[C@@H]1[C@@H]2CCC[N@H+]2CCN1Cc1cc(I)cc(I)c1O ZINC000023471823 556074005 /nfs/dbraw/zinc/07/40/05/556074005.db2.gz DLZHTPPATMZKII-YGRLFVJLSA-N 1 1 498.146 3.270 50 10 JGCAMO CC(NCCC[NH+]1CCOCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100552729 569764277 /nfs/dbraw/zinc/76/42/77/569764277.db2.gz YRYACSYHFANNIB-DTQAZKPQSA-N 1 1 453.490 3.147 50 10 JGCAMO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036683819 569779840 /nfs/dbraw/zinc/77/98/40/569779840.db2.gz VAMKPBPFYUMGBZ-XMMPIXPASA-N 1 1 486.572 3.336 50 10 JGCAMO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)[N@H+]2CCc3ccccc3C2)cc1 ZINC000036683819 569779841 /nfs/dbraw/zinc/77/98/41/569779841.db2.gz VAMKPBPFYUMGBZ-XMMPIXPASA-N 1 1 486.572 3.336 50 10 JGCAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000169678940 569869374 /nfs/dbraw/zinc/86/93/74/569869374.db2.gz QBERELCPNQIVAO-WIOPSUGQSA-N 1 1 457.590 3.229 50 10 JGCAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000169679890 569869944 /nfs/dbraw/zinc/86/99/44/569869944.db2.gz WMUJUZOPCDMJGR-RDGATRHJSA-N 1 1 469.626 3.098 50 10 JGCAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000014983832 523120343 /nfs/dbraw/zinc/12/03/43/523120343.db2.gz YSQJGQBXQBSHDE-XUZZJYLKSA-N 1 1 497.636 3.375 50 10 JGCAMO COc1ccc(O)c(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 ZINC000012282321 524745354 /nfs/dbraw/zinc/74/53/54/524745354.db2.gz TZSNTQDIIMGVQU-LJQANCHMSA-N 1 1 453.543 3.161 50 10 JGCAMO O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCC[NH+]1CCOCC1 ZINC000019911117 526423526 /nfs/dbraw/zinc/42/35/26/526423526.db2.gz ZBNMVKMVYUMSFC-FBMGVBCBSA-N 1 1 467.682 3.348 50 10 JGCAMO COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCC[NH+]2CCOCC2)cc1 ZINC000019943962 555562239 /nfs/dbraw/zinc/56/22/39/555562239.db2.gz UHPQVYVGKQFCPJ-NKFKGCMQSA-N 1 1 452.530 3.171 50 10 JGCAMO COc1ccc(N2CC[NH+](CCCNS(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000012527597 555995928 /nfs/dbraw/zinc/99/59/28/555995928.db2.gz DMLUVISTBAIJCE-UHFFFAOYSA-N 1 1 458.411 3.493 50 10 JGCAMO Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3CC[NH+](C)CC3)nc12 ZINC000026688454 556259654 /nfs/dbraw/zinc/25/96/54/556259654.db2.gz RSJFNYXYASVKOM-HMMYKYKNSA-N 1 1 491.642 3.156 50 10 JGCAMO O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000013120674 556333411 /nfs/dbraw/zinc/33/34/11/556333411.db2.gz LUHGHAGUDFMCSA-UHFFFAOYSA-N 1 1 454.548 3.213 50 10 JGCAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000034740627 569655577 /nfs/dbraw/zinc/65/55/77/569655577.db2.gz WMUJUZOPCDMJGR-WIOPSUGQSA-N 1 1 469.626 3.098 50 10 JGCAMO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036683821 569779829 /nfs/dbraw/zinc/77/98/29/569779829.db2.gz VAMKPBPFYUMGBZ-DEOSSOPVSA-N 1 1 486.572 3.336 50 10 JGCAMO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)[N@H+]2CCc3ccccc3C2)cc1 ZINC000036683821 569779831 /nfs/dbraw/zinc/77/98/31/569779831.db2.gz VAMKPBPFYUMGBZ-DEOSSOPVSA-N 1 1 486.572 3.336 50 10 JGCAMO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036683774 569779855 /nfs/dbraw/zinc/77/98/55/569779855.db2.gz TYLASPVLYWSTGG-XMMPIXPASA-N 1 1 462.619 3.346 50 10 JGCAMO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000036683774 569779856 /nfs/dbraw/zinc/77/98/56/569779856.db2.gz TYLASPVLYWSTGG-XMMPIXPASA-N 1 1 462.619 3.346 50 10 JGCAMO COc1ccc(N2CCN(c3ncc4c(n3)CC[N@@H+](Cc3cccc(OC)c3OC)C4)CC2)cc1 ZINC000021039444 195270412 /nfs/dbraw/zinc/27/04/12/195270412.db2.gz QWRZXDBZTJBNBE-UHFFFAOYSA-N 1 1 475.593 3.387 50 10 JGCAMO COc1ccc(N2CCN(c3ncc4c(n3)CC[N@H+](Cc3cccc(OC)c3OC)C4)CC2)cc1 ZINC000021039444 195270413 /nfs/dbraw/zinc/27/04/13/195270413.db2.gz QWRZXDBZTJBNBE-UHFFFAOYSA-N 1 1 475.593 3.387 50 10 JGCAMO COc1ccc(CCN2C(=O)/C(=C\N3CC[NH+](CCc4ccccn4)CC3)SC2=S)cc1OC ZINC000013731724 555603753 /nfs/dbraw/zinc/60/37/53/555603753.db2.gz ZGRFAZSXAIMTTR-PTGBLXJZSA-N 1 1 498.674 3.203 50 10 JGCAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccccc2O)CC3)o1 ZINC000012211481 555943073 /nfs/dbraw/zinc/94/30/73/555943073.db2.gz OTROSWWOSMWTOF-HXUWFJFHSA-N 1 1 467.570 3.299 50 10 JGCAMO COc1ccc(N2CCN(c3cc(C(=O)NCCC[NH+]4CCOCC4)c4ccccc4n3)CC2)cc1 ZINC000023435469 556058066 /nfs/dbraw/zinc/05/80/66/556058066.db2.gz ZDPPYWGJWJASDU-UHFFFAOYSA-N 1 1 489.620 3.022 50 10 JGCAMO CN1c2ccccc2[C@@]2(C1=O)[N@H+](C)C[C@@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O ZINC000035851648 563120824 /nfs/dbraw/zinc/12/08/24/563120824.db2.gz BTTANWUSMTYSJK-WDNCENIBSA-N 1 1 490.610 3.375 50 10 JGCAMO CN1c2ccccc2[C@@]2(C1=O)[N@@H+](C)C[C@@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O ZINC000035851648 563120825 /nfs/dbraw/zinc/12/08/25/563120825.db2.gz BTTANWUSMTYSJK-WDNCENIBSA-N 1 1 490.610 3.375 50 10 JGCAMO C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](C)CC2)SC1=S ZINC000001464550 194124320 /nfs/dbraw/zinc/12/43/20/194124320.db2.gz VQSOHBCOFWHKJD-XUMLYMLNSA-N 1 1 491.642 3.409 50 10 JGCAMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009868923 195005220 /nfs/dbraw/zinc/00/52/20/195005220.db2.gz HYXJASYNGSSQAC-LJQANCHMSA-N 1 1 458.628 3.386 50 10 JGCAMO O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000002248704 554113219 /nfs/dbraw/zinc/11/32/19/554113219.db2.gz NCPGPVLZLPCKSV-XSFVSMFZSA-N 1 1 454.983 3.226 50 10 JGCAMO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cc(I)cc(I)c1O ZINC000023471826 556073858 /nfs/dbraw/zinc/07/38/58/556073858.db2.gz DLZHTPPATMZKII-QMTHXVAHSA-N 1 1 498.146 3.270 50 10 JGCAMO C[C@@H]1[C@H]2CCC[N@H+]2CCN1Cc1cc(I)cc(I)c1O ZINC000023471826 556073862 /nfs/dbraw/zinc/07/38/62/556073862.db2.gz DLZHTPPATMZKII-QMTHXVAHSA-N 1 1 498.146 3.270 50 10 JGCAMO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cc(I)cc(I)c1O ZINC000023471824 556073935 /nfs/dbraw/zinc/07/39/35/556073935.db2.gz DLZHTPPATMZKII-HZMBPMFUSA-N 1 1 498.146 3.270 50 10 JGCAMO C[C@H]1[C@@H]2CCC[N@H+]2CCN1Cc1cc(I)cc(I)c1O ZINC000023471824 556073938 /nfs/dbraw/zinc/07/39/38/556073938.db2.gz DLZHTPPATMZKII-HZMBPMFUSA-N 1 1 498.146 3.270 50 10 JGCAMO C[NH+]1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)CC1 ZINC000019792246 556371086 /nfs/dbraw/zinc/37/10/86/556371086.db2.gz HYANGJALCULKPM-SSZFMOIBSA-N 1 1 468.442 3.205 50 10 JGCAMO CCn1c2c(C(=O)NCc3ccc(N(C)C)cc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835985 569636791 /nfs/dbraw/zinc/63/67/91/569636791.db2.gz GWQRKVKEDVBBSW-UHFFFAOYSA-N 1 1 484.604 3.070 50 10 JGCAMO Cc1ccc2nc(N3CC[NH+](C)CC3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 ZINC000001137660 194042798 /nfs/dbraw/zinc/04/27/98/194042798.db2.gz BLNFZSSIYVEVCO-ZHZULCJRSA-N 1 1 491.642 3.156 50 10 JGCAMO CN(C)c1ccc(C[NH+]2CCN(Cc3nc(C(=O)N4CCN(c5ccccc5)CC4)co3)CC2)cc1 ZINC000034678375 522181899 /nfs/dbraw/zinc/18/18/99/522181899.db2.gz ODMGDAQQICCAJX-UHFFFAOYSA-N 1 1 488.636 3.021 50 10 JGCAMO CCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](C)CC2)SC1=S ZINC000002338173 554154836 /nfs/dbraw/zinc/15/48/36/554154836.db2.gz XMBQDAJXJUYINC-VLGSPTGOSA-N 1 1 471.652 3.228 50 10 JGCAMO O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CC[NH+](CCc2ccccn2)CC1 ZINC000019901989 555535665 /nfs/dbraw/zinc/53/56/65/555535665.db2.gz IKYOWEAABNBDCJ-DYTRJAOYSA-N 1 1 466.632 3.060 50 10 JGCAMO CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914056 556177867 /nfs/dbraw/zinc/17/78/67/556177867.db2.gz KXVMQVZWTQPKJZ-AREMUKBSSA-N 1 1 482.584 3.264 50 10 JGCAMO COc1ccc(N2CC[NH+](CCNC(=O)c3cccn4c(=O)c5cc(Cl)ccc5nc34)CC2)cc1 ZINC000063709772 569616019 /nfs/dbraw/zinc/61/60/19/569616019.db2.gz UUHPUSGRHCLTLV-UHFFFAOYSA-N 1 1 491.979 3.062 50 10 JGCAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000034740537 569655291 /nfs/dbraw/zinc/65/52/91/569655291.db2.gz QBERELCPNQIVAO-DHLKQENFSA-N 1 1 457.590 3.229 50 10 JGCAMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009868917 195005238 /nfs/dbraw/zinc/00/52/38/195005238.db2.gz HYXJASYNGSSQAC-IBGZPJMESA-N 1 1 458.628 3.386 50 10 JGCAMO Cc1ccccc1C[N@H+](C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000012777134 195121729 /nfs/dbraw/zinc/12/17/29/195121729.db2.gz JJQNATPHJHOEJO-CIAFOILYSA-N 1 1 483.615 3.173 50 10 JGCAMO Cc1ccccc1C[N@@H+](C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000012777134 195121731 /nfs/dbraw/zinc/12/17/31/195121731.db2.gz JJQNATPHJHOEJO-CIAFOILYSA-N 1 1 483.615 3.173 50 10 JGCAMO CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914060 522246761 /nfs/dbraw/zinc/24/67/61/522246761.db2.gz KXVMQVZWTQPKJZ-SANMLTNESA-N 1 1 482.584 3.264 50 10 JGCAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cc(OC)ccc2O)CC3)o1 ZINC000014961647 522963984 /nfs/dbraw/zinc/96/39/84/522963984.db2.gz KGNUAWCVPVMVDD-OAQYLSRUSA-N 1 1 497.596 3.307 50 10 JGCAMO Cc1ccc(CN2C(=O)/C(=C\c3c(=O)n4ccccc4nc3N3CC[NH+](C)CC3)SC2=S)cc1 ZINC000033342557 524427143 /nfs/dbraw/zinc/42/71/43/524427143.db2.gz HGKWOBUCQFQAKN-HMMYKYKNSA-N 1 1 491.642 3.156 50 10 JGCAMO CC[NH+](CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000009355018 555119675 /nfs/dbraw/zinc/11/96/75/555119675.db2.gz IZWUYZUGNHLWIF-HMMYKYKNSA-N 1 1 484.553 3.068 50 10 JGCAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)C(=O)N3CCCCC3)CC2)cc1 ZINC000009611883 555444073 /nfs/dbraw/zinc/44/40/73/555444073.db2.gz UXPIKNOXRUWTBN-AUSIDOKSSA-N 1 1 470.639 3.137 50 10 JGCAMO CCN(CC)c1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1 ZINC000015003990 555848857 /nfs/dbraw/zinc/84/88/57/555848857.db2.gz VMBJSVMSJFYFOO-UHFFFAOYSA-N 1 1 464.589 3.294 50 10 JGCAMO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022999023 555999152 /nfs/dbraw/zinc/99/91/52/555999152.db2.gz LBWSVHGQSHYRTG-RUZDIDTESA-N 1 1 491.661 3.110 50 10 JGCAMO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cc(I)cc(I)c1O ZINC000023471828 556074013 /nfs/dbraw/zinc/07/40/13/556074013.db2.gz DLZHTPPATMZKII-IINYFYTJSA-N 1 1 498.146 3.270 50 10 JGCAMO C[C@H]1[C@H]2CCC[N@H+]2CCN1Cc1cc(I)cc(I)c1O ZINC000023471828 556074015 /nfs/dbraw/zinc/07/40/15/556074015.db2.gz DLZHTPPATMZKII-IINYFYTJSA-N 1 1 498.146 3.270 50 10 JGCAMO C[N@H+](Cc1cc(I)cc(I)c1[O-])C1CC[NH+](C)CC1 ZINC000016662865 556149751 /nfs/dbraw/zinc/14/97/51/556149751.db2.gz IAJFTEUXEMKNJL-UHFFFAOYSA-N 1 1 486.135 3.127 50 10 in-vitro JGCAMO C[N@@H+](Cc1cc(I)cc(I)c1[O-])C1CC[NH+](C)CC1 ZINC000016662865 556149753 /nfs/dbraw/zinc/14/97/53/556149753.db2.gz IAJFTEUXEMKNJL-UHFFFAOYSA-N 1 1 486.135 3.127 50 10 in-vitro JGCAMO Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3CC[NH+](C)CC3)nc12 ZINC000008735680 569601964 /nfs/dbraw/zinc/60/19/64/569601964.db2.gz RSJFNYXYASVKOM-HKWRFOASSA-N 1 1 491.642 3.156 50 10 JGCAMO CCCCCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CC[NH+](C)CC2)SC1=S ZINC000033558350 520073917 /nfs/dbraw/zinc/07/39/17/520073917.db2.gz XMBQDAJXJUYINC-FBMGVBCBSA-N 1 1 471.652 3.228 50 10 JGCAMO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000009468811 555249405 /nfs/dbraw/zinc/24/94/05/555249405.db2.gz KSFINPPNJFOKOB-UHFFFAOYSA-N 1 1 492.542 3.449 50 10 JGCAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000009468811 555249408 /nfs/dbraw/zinc/24/94/08/555249408.db2.gz KSFINPPNJFOKOB-UHFFFAOYSA-N 1 1 492.542 3.449 50 10 JGCAMO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)N(Cc3cc(Cl)ccc3O)C2)n1 ZINC000055091007 569590743 /nfs/dbraw/zinc/59/07/43/569590743.db2.gz FFBTWMMRHAJCRF-RTWAWAEBSA-N 1 1 490.073 3.352 50 10 JGCAMO COc1ccc(N2CC[NH+](CCNC(=O)c3cccn4c(=O)c5ccc(Cl)cc5nc34)CC2)cc1 ZINC000061943424 569609463 /nfs/dbraw/zinc/60/94/63/569609463.db2.gz WYJOEXAPQQPJIK-UHFFFAOYSA-N 1 1 491.979 3.062 50 10 JGCAMO Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(N3CC[NH+](C)CC3)nc12 ZINC000001481299 194125760 /nfs/dbraw/zinc/12/57/60/194125760.db2.gz PQEBMOWXEIDOEP-JXAWBTAJSA-N 1 1 471.652 3.002 50 10 JGCAMO Cc1ccc(CN2C(=O)/C(=C/c3c(=O)n4ccccc4nc3N3CC[NH+](C)CC3)SC2=S)cc1 ZINC000001481308 194125822 /nfs/dbraw/zinc/12/58/22/194125822.db2.gz HGKWOBUCQFQAKN-HKWRFOASSA-N 1 1 491.642 3.156 50 10 JGCAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cc(OC)ccc2O)CC3)o1 ZINC000014961643 522962207 /nfs/dbraw/zinc/96/22/07/522962207.db2.gz KGNUAWCVPVMVDD-NRFANRHFSA-N 1 1 497.596 3.307 50 10 JGCAMO COc1ccc(O)c(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 ZINC000012282323 524745232 /nfs/dbraw/zinc/74/52/32/524745232.db2.gz TZSNTQDIIMGVQU-IBGZPJMESA-N 1 1 453.543 3.161 50 10 JGCAMO COc1ccc(N2CCN(C3=[NH+][C@@H](c4ccc(Cl)cc4)n4c(=O)cc(C)nc4N3)CC2)cc1 ZINC000008993662 554853912 /nfs/dbraw/zinc/85/39/12/554853912.db2.gz AXPFDQTWMINAEL-JOCHJYFZSA-N 1 1 464.957 3.364 50 10 JGCAMO COc1ccc(N2CCN(c3cc[nH+]c(N4CCN(c5ccc(OC)cc5)CC4)n3)CC2)cc1 ZINC000009127245 554922096 /nfs/dbraw/zinc/92/20/96/554922096.db2.gz WWAUCXLFUWYTDC-UHFFFAOYSA-N 1 1 460.582 3.147 50 10 JGCAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009642255 555354378 /nfs/dbraw/zinc/35/43/78/555354378.db2.gz SSPAGYLQXGWJSA-UHFFFAOYSA-N 1 1 497.555 3.346 50 10 JGCAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)C(=O)N3CCCCC3)CC2)cc1 ZINC000009611880 555444113 /nfs/dbraw/zinc/44/41/13/555444113.db2.gz UXPIKNOXRUWTBN-CVDCTZTESA-N 1 1 470.639 3.137 50 10 JGCAMO COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NN2CC[NH+](C)CC2)cc1 ZINC000013625027 555538992 /nfs/dbraw/zinc/53/89/92/555538992.db2.gz BDXXSVMDWSPEAN-PGMHBOJBSA-N 1 1 462.579 3.082 50 10 JGCAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCc3ccco3)CC2)cc1 ZINC000020289393 555760564 /nfs/dbraw/zinc/76/05/64/555760564.db2.gz QAXOVMMDPXUGKF-JPYJTQIMSA-N 1 1 482.606 3.034 50 10 JGCAMO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC000011913052 555862293 /nfs/dbraw/zinc/86/22/93/555862293.db2.gz ODIZPXAPFWCNNR-OAQYLSRUSA-N 1 1 474.609 3.193 50 10 JGCAMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC=C(c4cnn(-c5ccccc5)c4)CC3)CC2)cc1 ZINC000035404094 569691470 /nfs/dbraw/zinc/69/14/70/569691470.db2.gz KELVUYXRBLVFPX-UHFFFAOYSA-N 1 1 457.578 3.319 50 10 JGCAMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC=C(c4cnn(-c5ccccc5)c4)CC3)CC2)cc1 ZINC000035404094 569691472 /nfs/dbraw/zinc/69/14/72/569691472.db2.gz KELVUYXRBLVFPX-UHFFFAOYSA-N 1 1 457.578 3.319 50 10 JGCAMO CC(NCCC[NH+]1CCOCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100580779 569765311 /nfs/dbraw/zinc/76/53/11/569765311.db2.gz YRYACSYHFANNIB-SSZFMOIBSA-N 1 1 453.490 3.147 50 10 JGCAMO C[NH+](C)C1CCN(Cc2cc(I)cc(I)c2O)CC1 ZINC000242305032 570053766 /nfs/dbraw/zinc/05/37/66/570053766.db2.gz YUFDLWINHODFJT-UHFFFAOYSA-N 1 1 486.135 3.127 50 10 JGCAMO C[N@@H+]1C[C@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000033369978 524026623 /nfs/dbraw/zinc/02/66/23/524026623.db2.gz RNVQQSNUVRKHEQ-CQLNOVPUSA-N 1 1 476.583 3.351 50 10 JGCAMO C[N@H+]1C[C@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000033369978 524026625 /nfs/dbraw/zinc/02/66/25/524026625.db2.gz RNVQQSNUVRKHEQ-CQLNOVPUSA-N 1 1 476.583 3.351 50 10 JGCAMO CCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CC[NH+](C)CC2)SC1=S ZINC000002329447 554150795 /nfs/dbraw/zinc/15/07/95/554150795.db2.gz MOOCJONDJISUOY-SDXDJHTJSA-N 1 1 471.652 3.146 50 10 JGCAMO O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCC[NH+]1CCOCC1 ZINC000008766321 554666880 /nfs/dbraw/zinc/66/68/80/554666880.db2.gz LPJNRCDQQFNWTI-SDXDJHTJSA-N 1 1 468.044 3.160 50 10 JGCAMO COc1ccc(N2CC[NH+](C[C@@H](O)COc3c(F)cc(Br)cc3F)CC2)cc1 ZINC000020109642 555645605 /nfs/dbraw/zinc/64/56/05/555645605.db2.gz LECQPLFRADGBCF-MRXNPFEDSA-N 1 1 457.315 3.298 50 10 JGCAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCc3ccco3)CC2)cc1 ZINC000020289400 555760550 /nfs/dbraw/zinc/76/05/50/555760550.db2.gz QAXOVMMDPXUGKF-MBSDFSHPSA-N 1 1 482.606 3.034 50 10 JGCAMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc4nc5cc(Cl)ccc5c(=O)n4c3)CC2)cc1 ZINC000063709780 569615945 /nfs/dbraw/zinc/61/59/45/569615945.db2.gz IILRZBUMGGADHL-UHFFFAOYSA-N 1 1 491.979 3.062 50 10 JGCAMO O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000100789244 569770020 /nfs/dbraw/zinc/77/00/20/569770020.db2.gz CJBVUQFYHDHPGW-NBVRZTHBSA-N 1 1 454.983 3.226 50 10 JGCAMO C[N@@H+]1C[C@H](c2ccccn2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000102768776 569823391 /nfs/dbraw/zinc/82/33/91/569823391.db2.gz RNVQQSNUVRKHEQ-UOKFIYJESA-N 1 1 476.583 3.351 50 10 JGCAMO C[N@H+]1C[C@H](c2ccccn2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000102768776 569823393 /nfs/dbraw/zinc/82/33/93/569823393.db2.gz RNVQQSNUVRKHEQ-UOKFIYJESA-N 1 1 476.583 3.351 50 10 JGCAMO Cc1ccc2nc(N3CC[NH+](C)CC3)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 ZINC000033313292 526253606 /nfs/dbraw/zinc/25/36/06/526253606.db2.gz BLNFZSSIYVEVCO-XSFVSMFZSA-N 1 1 491.642 3.156 50 10 JGCAMO COc1ccc(N2CC[NH+](CCCNS(=O)(=O)c3ccc(Br)c(C)c3)CC2)cc1 ZINC000012536693 556009826 /nfs/dbraw/zinc/00/98/26/556009826.db2.gz FQBOYWVVSVARAQ-UHFFFAOYSA-N 1 1 482.444 3.257 50 10 JGCAMO CC[NH+]1CCN(Cc2c(O)ccc3oc(-c4cc(OC)c(OC)c(OC)c4)cc(=O)c32)CC1 ZINC000019794111 556373620 /nfs/dbraw/zinc/37/36/20/556373620.db2.gz SEDUTLFPZNJVBB-UHFFFAOYSA-N 1 1 454.523 3.329 50 10 JGCAMO COc1ccc(N2CC[NH+](Cc3c([O-])c(C[N@H+]4CCc5ccccc5C4)coc3=O)CC2)cc1 ZINC000101373019 569794742 /nfs/dbraw/zinc/79/47/42/569794742.db2.gz UJNBBCRESGWSNQ-UHFFFAOYSA-N 1 1 461.562 3.235 50 10 JGCAMO CN1c2ccccc2[C@@]2(C1=O)[N@H+](C)C[C@@H](c1ccccn1)[C@]21SC(=S)N(Cc2ccco2)C1=O ZINC000102769736 569823497 /nfs/dbraw/zinc/82/34/97/569823497.db2.gz BTTANWUSMTYSJK-RIEVBORMSA-N 1 1 490.610 3.375 50 10 JGCAMO CN1c2ccccc2[C@@]2(C1=O)[N@@H+](C)C[C@@H](c1ccccn1)[C@]21SC(=S)N(Cc2ccco2)C1=O ZINC000102769736 569823498 /nfs/dbraw/zinc/82/34/98/569823498.db2.gz BTTANWUSMTYSJK-RIEVBORMSA-N 1 1 490.610 3.375 50 10 JGCAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000169678941 569869412 /nfs/dbraw/zinc/86/94/12/569869412.db2.gz QBERELCPNQIVAO-RCZVLFRGSA-N 1 1 457.590 3.229 50 10 JGCAMO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000012609757 195053896 /nfs/dbraw/zinc/05/38/96/195053896.db2.gz GJZZXSCJTPQRPX-UHFFFAOYSA-N 1 1 450.583 3.266 50 10 JGCAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000012609757 195053899 /nfs/dbraw/zinc/05/38/99/195053899.db2.gz GJZZXSCJTPQRPX-UHFFFAOYSA-N 1 1 450.583 3.266 50 10 JGCAMO Cc1ccc2nc(N3CC[NH+](C)CC3)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(=O)n2c1 ZINC000002341765 554156245 /nfs/dbraw/zinc/15/62/45/554156245.db2.gz XPDCMZJYBXSKFB-AQTBWJFISA-N 1 1 471.652 3.002 50 10 JGCAMO O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC[NH+](CCc2ccccn2)CC1 ZINC000019901982 555535813 /nfs/dbraw/zinc/53/58/13/555535813.db2.gz QZABIYUQBLMUBI-KNTRCKAVSA-N 1 1 472.661 3.121 50 10 JGCAMO C[N@@H+]1C[C@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000013811644 555628459 /nfs/dbraw/zinc/62/84/59/555628459.db2.gz RNVQQSNUVRKHEQ-VEYWIMSWSA-N 1 1 476.583 3.351 50 10 JGCAMO C[N@H+]1C[C@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000013811644 555628465 /nfs/dbraw/zinc/62/84/65/555628465.db2.gz RNVQQSNUVRKHEQ-VEYWIMSWSA-N 1 1 476.583 3.351 50 10 JGCAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCc3ccco3)CC2)cc1 ZINC000020289402 555760466 /nfs/dbraw/zinc/76/04/66/555760466.db2.gz QAXOVMMDPXUGKF-FDDCHVKYSA-N 1 1 482.606 3.034 50 10 JGCAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccccc2O)CC3)o1 ZINC000012211476 555942971 /nfs/dbraw/zinc/94/29/71/555942971.db2.gz OTROSWWOSMWTOF-FQEVSTJZSA-N 1 1 467.570 3.299 50 10 JGCAMO COc1ccc(CCN2C(=O)/C(=C/N3CC[NH+](CCc4ccccn4)CC3)SC2=S)cc1OC ZINC000030819319 556374875 /nfs/dbraw/zinc/37/48/75/556374875.db2.gz ZGRFAZSXAIMTTR-NKFKGCMQSA-N 1 1 498.674 3.203 50 10 JGCAMO CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036683776 569779898 /nfs/dbraw/zinc/77/98/98/569779898.db2.gz TYLASPVLYWSTGG-DEOSSOPVSA-N 1 1 462.619 3.346 50 10 JGCAMO CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000036683776 569779899 /nfs/dbraw/zinc/77/98/99/569779899.db2.gz TYLASPVLYWSTGG-DEOSSOPVSA-N 1 1 462.619 3.346 50 10 JGCAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc(N3CCCC3)cc1)CC2)c1ccc(F)cc1 ZINC000020785528 195225517 /nfs/dbraw/zinc/22/55/17/195225517.db2.gz RDIWVYUYSWNHRH-UHFFFAOYSA-N 1 1 462.573 3.048 50 10 JGCAMO COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCC[NH+]2CCOCC2)cc1 ZINC000020064178 555624450 /nfs/dbraw/zinc/62/44/50/555624450.db2.gz CFZZBOILTRZFEH-CLCOLTQESA-N 1 1 464.566 3.041 50 10 JGCAMO COc1ccc(N2CC[NH+](C[C@H](O)COc3c(F)cc(Br)cc3F)CC2)cc1 ZINC000020109643 555645544 /nfs/dbraw/zinc/64/55/44/555645544.db2.gz LECQPLFRADGBCF-INIZCTEOSA-N 1 1 457.315 3.298 50 10 JGCAMO CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cc1 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/nfs/dbraw/zinc/65/53/36/569655336.db2.gz QBERELCPNQIVAO-RDGATRHJSA-N 1 1 457.590 3.229 50 10 JGCAMO