smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[NH2+]CC[NH+]1CCCC1 20126883 537780518 /nfs/dbraw/zinc/78/05/18/537780518.db2.gz XGZHZPXRRLLJED-UHFFFAOYSA-N 2 2 156.273 1.080 40 0 in-vitro ADABLP C[N@@H+]1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 216408830 538192291 /nfs/dbraw/zinc/19/22/91/538192291.db2.gz ZKJZAPALZOUPMV-QWRGUYRKSA-N 2 2 194.253 1.182 40 0 ADABLP C[N@H+]1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 216408830 538192298 /nfs/dbraw/zinc/19/22/98/538192298.db2.gz ZKJZAPALZOUPMV-QWRGUYRKSA-N 2 2 194.253 1.182 40 0 ADABLP Cc1ccc([C@@H]2C[N@H+](C)C[C@H]2[NH3+])cc1 216435264 538192332 /nfs/dbraw/zinc/19/23/32/538192332.db2.gz SSIPRKPZXTXVPK-NWDGAFQWSA-N 2 2 190.290 1.351 40 0 ADABLP Cc1ccc([C@@H]2C[N@@H+](C)C[C@H]2[NH3+])cc1 216435264 538192338 /nfs/dbraw/zinc/19/23/38/538192338.db2.gz SSIPRKPZXTXVPK-NWDGAFQWSA-N 2 2 190.290 1.351 40 0 ADABLP C[N@H+](CC[NH3+])[C@H]1C[C@@H]1c1ccccc1 308662670 573667280 /nfs/dbraw/zinc/66/72/80/573667280.db2.gz QWZUBAJBWMQTMI-NEPJUHHUSA-N 2 2 190.290 1.433 40 0 ADABLP C[N@@H+](CC[NH3+])[C@H]1C[C@@H]1c1ccccc1 308662670 573667290 /nfs/dbraw/zinc/66/72/90/573667290.db2.gz QWZUBAJBWMQTMI-NEPJUHHUSA-N 2 2 190.290 1.433 40 0 ADABLP C[N@H+](CC[NH3+])[C@H]1C[C@H]1c1ccccc1 308662672 573668433 /nfs/dbraw/zinc/66/84/33/573668433.db2.gz QWZUBAJBWMQTMI-RYUDHWBXSA-N 2 2 190.290 1.433 40 0 ADABLP C[N@@H+](CC[NH3+])[C@H]1C[C@H]1c1ccccc1 308662672 573668439 /nfs/dbraw/zinc/66/84/39/573668439.db2.gz QWZUBAJBWMQTMI-RYUDHWBXSA-N 2 2 190.290 1.433 40 0 ADABLP CC(C)[C@@H]([NH3+])c1cc(N)cc[nH+]1 104147080 573957230 /nfs/dbraw/zinc/95/72/30/573957230.db2.gz UGFVGWWBPJMTLV-SECBINFHSA-N 2 2 165.240 1.320 40 0 ADABLP C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 82401777 1169108670 /nfs/dbraw/zinc/10/86/70/1169108670.db2.gz REHPHQPZJRELLK-SNVBAGLBSA-N 2 2 168.284 1.224 40 0 ADABLP C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 82401777 1169108679 /nfs/dbraw/zinc/10/86/79/1169108679.db2.gz REHPHQPZJRELLK-SNVBAGLBSA-N 2 2 168.284 1.224 40 0 ADABLP C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 82401778 1169109163 /nfs/dbraw/zinc/10/91/63/1169109163.db2.gz REHPHQPZJRELLK-JTQLQIEISA-N 2 2 168.284 1.224 40 0 ADABLP C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 82401778 1169109169 /nfs/dbraw/zinc/10/91/69/1169109169.db2.gz REHPHQPZJRELLK-JTQLQIEISA-N 2 2 168.284 1.224 40 0 ADABLP C[N@H+](CC[NH3+])[C@@H]1C[C@H]1c1ccccc1 308662671 573670958 /nfs/dbraw/zinc/67/09/58/573670958.db2.gz QWZUBAJBWMQTMI-NWDGAFQWSA-N 2 2 190.290 1.433 40 0 ADABLP C[N@@H+](CC[NH3+])[C@@H]1C[C@H]1c1ccccc1 308662671 573670963 /nfs/dbraw/zinc/67/09/63/573670963.db2.gz QWZUBAJBWMQTMI-NWDGAFQWSA-N 2 2 190.290 1.433 40 0 ADABLP CC(C)N(C)c1cc[nH+]c(C[NH3+])c1 51396386 582713187 /nfs/dbraw/zinc/71/31/87/582713187.db2.gz TXSXHRWKLGLWHM-UHFFFAOYSA-N 2 2 179.267 1.385 40 0 ADABLP CCCC[NH2+]CC[NH+]1CCCC1 20126969 583377945 /nfs/dbraw/zinc/37/79/45/583377945.db2.gz KKVWZMSIFJYBPO-UHFFFAOYSA-N 2 2 170.300 1.472 40 0 ADABLP C[N@@H+]1C[C@@H]([NH3+])C[C@@H](c2ccccc2)C1 74273787 1188774243 /nfs/dbraw/zinc/77/42/43/1188774243.db2.gz QLFBYBVHBWHMAN-NEPJUHHUSA-N 2 2 190.290 1.433 40 0 ADABLP C[N@H+]1C[C@@H]([NH3+])C[C@@H](c2ccccc2)C1 74273787 1188774247 /nfs/dbraw/zinc/77/42/47/1188774247.db2.gz QLFBYBVHBWHMAN-NEPJUHHUSA-N 2 2 190.290 1.433 40 0 ADABLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1 225720287 325629841 /nfs/dbraw/zinc/62/98/41/325629841.db2.gz OJAKRWMKSPPCLX-GHMZBOCLSA-N 2 2 194.278 1.639 40 0 ADABLP C[NH+](C)C[C@H]1CSC(=[NH2+])S1 5509069 343004290 /nfs/dbraw/zinc/00/42/90/343004290.db2.gz XCMPHSVHEXXFBQ-YFKPBYRVSA-N 2 2 176.310 1.331 40 0 ADABLP CC1=C[C@H]2[C@@H]([NH+]=C1)C1CC[NH+]2CC1 6755500 343016434 /nfs/dbraw/zinc/01/64/34/343016434.db2.gz INAYCRVGTVBHBY-QWRGUYRKSA-N 2 2 176.263 1.480 40 0 ADABLP CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC 19960738 343065437 /nfs/dbraw/zinc/06/54/37/343065437.db2.gz YRWYLCWNNYJYSW-WDEREUQCSA-N 2 2 184.327 1.859 40 0 ADABLP CC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC 19960738 343065439 /nfs/dbraw/zinc/06/54/39/343065439.db2.gz YRWYLCWNNYJYSW-WDEREUQCSA-N 2 2 184.327 1.859 40 0 ADABLP C[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] 19929410 343064467 /nfs/dbraw/zinc/06/44/67/343064467.db2.gz VCBKIXQFEBRQBL-NSHDSACASA-N 2 2 176.263 1.174 40 0 ADABLP CCC[NH2+]C[C@@H]1CCC[N@@H+]1C 22073413 343078492 /nfs/dbraw/zinc/07/84/92/343078492.db2.gz SLRGEBKYBDGUPJ-VIFPVBQESA-N 2 2 156.273 1.080 40 0 ADABLP CCC[NH2+]C[C@@H]1CCC[N@H+]1C 22073413 343078493 /nfs/dbraw/zinc/07/84/93/343078493.db2.gz SLRGEBKYBDGUPJ-VIFPVBQESA-N 2 2 156.273 1.080 40 0 ADABLP CCC[NH2+]C[C@H]1CCC[N@@H+]1C 22073415 343078525 /nfs/dbraw/zinc/07/85/25/343078525.db2.gz SLRGEBKYBDGUPJ-SECBINFHSA-N 2 2 156.273 1.080 40 0 ADABLP CCC[NH2+]C[C@H]1CCC[N@H+]1C 22073415 343078526 /nfs/dbraw/zinc/07/85/26/343078526.db2.gz SLRGEBKYBDGUPJ-SECBINFHSA-N 2 2 156.273 1.080 40 0 ADABLP CCC[NH2+]CC[NH2+]Cc1ccccc1 39207837 343206137 /nfs/dbraw/zinc/20/61/37/343206137.db2.gz XYCSXBJBBKZFKV-UHFFFAOYSA-N 2 2 192.306 1.776 40 0 ADABLP CC(C)[NH2+][C@@H]1CCC[N@H+](C)C1 40672061 343220882 /nfs/dbraw/zinc/22/08/82/343220882.db2.gz VLGPFQBYVNGJBA-SECBINFHSA-N 2 2 156.273 1.079 40 0 ADABLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C)C1 40672061 343220883 /nfs/dbraw/zinc/22/08/83/343220883.db2.gz VLGPFQBYVNGJBA-SECBINFHSA-N 2 2 156.273 1.079 40 0 ADABLP C[N@@H+]1CC[C@@H]([NH2+]C2CCCCC2)C1 42544753 343245594 /nfs/dbraw/zinc/24/55/94/343245594.db2.gz MVHVOOFLXVEXDH-LLVKDONJSA-N 2 2 182.311 1.613 40 0 ADABLP C[N@H+]1CC[C@@H]([NH2+]C2CCCCC2)C1 42544753 343245596 /nfs/dbraw/zinc/24/55/96/343245596.db2.gz MVHVOOFLXVEXDH-LLVKDONJSA-N 2 2 182.311 1.613 40 0 ADABLP C[N@@H+]1CC[C@@H]([NH2+]CC2CCCCC2)C1 42543978 343245599 /nfs/dbraw/zinc/24/55/99/343245599.db2.gz YULCSOYIXSRBEN-GFCCVEGCSA-N 2 2 196.338 1.860 40 0 ADABLP CCC(CC)C[NH2+][C@H]1CC[N@H+](C)C1 42543975 343245740 /nfs/dbraw/zinc/24/57/40/343245740.db2.gz VDVAZENSSIJDAC-NSHDSACASA-N 2 2 184.327 1.716 40 0 ADABLP Cc1ccc(F)c([C@H]([NH3+])C[NH3+])c1 44472251 343266139 /nfs/dbraw/zinc/26/61/39/343266139.db2.gz FJCPOTWIKINTJF-SECBINFHSA-N 2 2 168.215 1.093 40 0 ADABLP Cc1ccsc1C[N@@H+]1CC[C@H]([NH3+])C1 50227854 343280234 /nfs/dbraw/zinc/28/02/34/343280234.db2.gz PBMGBUITGIKFMH-VIFPVBQESA-N 2 2 196.319 1.590 40 0 ADABLP Cc1ccsc1C[N@H+]1CC[C@H]([NH3+])C1 50227854 343280235 /nfs/dbraw/zinc/28/02/35/343280235.db2.gz PBMGBUITGIKFMH-VIFPVBQESA-N 2 2 196.319 1.590 40 0 ADABLP CCc1ccc([C@H](C[NH3+])[NH2+]C)cc1 50269811 343280613 /nfs/dbraw/zinc/28/06/13/343280613.db2.gz VRYDNQGSJOSHKN-NSHDSACASA-N 2 2 178.279 1.468 40 0 ADABLP CCc1ccc([C@@H](C[NH3+])[NH2+]C)cc1 50269810 343280635 /nfs/dbraw/zinc/28/06/35/343280635.db2.gz VRYDNQGSJOSHKN-LLVKDONJSA-N 2 2 178.279 1.468 40 0 ADABLP CN(c1cc[nH+]c(C[NH3+])c1)C1CC1 51396626 343290127 /nfs/dbraw/zinc/29/01/27/343290127.db2.gz PQJJNPYRWZRSJH-UHFFFAOYSA-N 2 2 177.251 1.139 40 0 ADABLP C[NH+](C)CCC[NH2+]Cc1cncs1 54770056 343328846 /nfs/dbraw/zinc/32/88/46/343328846.db2.gz RRNTYALUITTXEJ-UHFFFAOYSA-N 2 2 199.323 1.184 40 0 ADABLP C[NH+](C)[C@](C)(C[NH3+])c1ccccc1 59842759 343348060 /nfs/dbraw/zinc/34/80/60/343348060.db2.gz MUMLDOWKYAHPJP-LLVKDONJSA-N 2 2 178.279 1.422 40 0 ADABLP C[NH+](C)[C@@](C)(C[NH3+])c1cccs1 70453214 343487721 /nfs/dbraw/zinc/48/77/21/343487721.db2.gz ZXYPYYLJVIFANE-VIFPVBQESA-N 2 2 184.308 1.484 40 0 ADABLP [NH3+][C@@H]1CCC[C@@H](n2cc[nH+]c2)C1 74338864 343572109 /nfs/dbraw/zinc/57/21/09/343572109.db2.gz IGDYCSPTDHTIFC-RKDXNWHRSA-N 2 2 165.240 1.326 40 0 ADABLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 79438585 343589105 /nfs/dbraw/zinc/58/91/05/343589105.db2.gz HIVVWXLICCPIHT-GFCCVEGCSA-N 2 2 190.290 1.447 40 0 ADABLP Cc1cccc(C[N@H+](C)CC[NH3+])c1 96319878 343695964 /nfs/dbraw/zinc/69/59/64/343695964.db2.gz QVUNECZQHMDHDW-UHFFFAOYSA-N 2 2 178.279 1.386 40 0 ADABLP Cc1cccc(C[N@@H+](C)CC[NH3+])c1 96319878 343695965 /nfs/dbraw/zinc/69/59/65/343695965.db2.gz QVUNECZQHMDHDW-UHFFFAOYSA-N 2 2 178.279 1.386 40 0 ADABLP CCC[N@@H+](Cc1ccco1)C[C@@H](C)[NH3+] 96523900 343698393 /nfs/dbraw/zinc/69/83/93/343698393.db2.gz FGOORZRWEYTQAC-SNVBAGLBSA-N 2 2 196.294 1.839 40 0 ADABLP C1CCC(C[N@@H+]2CCC[NH2+]CC2)C1 42010969 166087591 /nfs/dbraw/zinc/08/75/91/166087591.db2.gz XQWDREJXNXESDO-UHFFFAOYSA-N 2 2 182.311 1.472 40 0 ADABLP C1CCC(C[N@H+]2CCC[NH2+]CC2)C1 42010969 166087593 /nfs/dbraw/zinc/08/75/93/166087593.db2.gz XQWDREJXNXESDO-UHFFFAOYSA-N 2 2 182.311 1.472 40 0 ADABLP C1CC[NH+](CC[NH2+]C2CCC2)CC1 44481958 166092426 /nfs/dbraw/zinc/09/24/26/166092426.db2.gz XKXMZPBDMMJBOF-UHFFFAOYSA-N 2 2 182.311 1.614 40 0 ADABLP C1CC[NH+](CC[NH2+]C2CC2)CC1 37395058 166092468 /nfs/dbraw/zinc/09/24/68/166092468.db2.gz KXJDOIPIVOCSTJ-UHFFFAOYSA-N 2 2 168.284 1.224 40 0 ADABLP C1CC[C@H]2[NH2+][C@@H](C1)[C@@H]1CCCC[C@H]2[NH2+]1 45069503 166093911 /nfs/dbraw/zinc/09/39/11/166093911.db2.gz CFZHUAZRNMZPGQ-BKUVIOGVSA-N 2 2 194.322 1.802 40 0 ADABLP C1CC[C@@H]2[NH2+][C@@H]3CCCC[C@H]3[NH2+][C@H]2C1 32119683 166093968 /nfs/dbraw/zinc/09/39/68/166093968.db2.gz JPOVEXSHVNWPRM-HUVAQWKNSA-N 2 2 194.322 1.802 40 0 ADABLP C1CC[C@H]2[NH2+][C@H]3CCCC[C@H]3[NH2+][C@H]2C1 32119677 166095017 /nfs/dbraw/zinc/09/50/17/166095017.db2.gz JPOVEXSHVNWPRM-IWDIQUIJSA-N 2 2 194.322 1.802 40 0 ADABLP CC(C)(C)C[N@@H+]1CCC[NH2+]CC1 41168347 166351941 /nfs/dbraw/zinc/35/19/41/166351941.db2.gz IELGVCCFADARLD-UHFFFAOYSA-N 2 2 170.300 1.328 40 0 ADABLP CC(C)(C)C[N@H+]1CCC[NH2+]CC1 41168347 166351943 /nfs/dbraw/zinc/35/19/43/166351943.db2.gz IELGVCCFADARLD-UHFFFAOYSA-N 2 2 170.300 1.328 40 0 ADABLP CC(C)(C)C[NH2+]CCCn1cc[nH+]c1 41051217 166353666 /nfs/dbraw/zinc/35/36/66/166353666.db2.gz FBJYDSYVMDUTNM-UHFFFAOYSA-N 2 2 195.310 1.909 40 0 ADABLP CCC[C@@H](C)C[NH2+][C@H]1CC[N@H+](C)C1 42545088 167028598 /nfs/dbraw/zinc/02/85/98/167028598.db2.gz NFRWLNRUJPKAQZ-MNOVXSKESA-N 2 2 184.327 1.716 40 0 ADABLP CCC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)C1 42545088 167028603 /nfs/dbraw/zinc/02/86/03/167028603.db2.gz NFRWLNRUJPKAQZ-MNOVXSKESA-N 2 2 184.327 1.716 40 0 ADABLP CCC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C)C1 42545084 167030448 /nfs/dbraw/zinc/03/04/48/167030448.db2.gz NFRWLNRUJPKAQZ-GHMZBOCLSA-N 2 2 184.327 1.716 40 0 ADABLP CCC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C1 42545084 167030452 /nfs/dbraw/zinc/03/04/52/167030452.db2.gz NFRWLNRUJPKAQZ-GHMZBOCLSA-N 2 2 184.327 1.716 40 0 ADABLP CCC[C@@H](C)[N@@H+]1CCC[NH2+]CC1 38086824 167033641 /nfs/dbraw/zinc/03/36/41/167033641.db2.gz OGTWMAPCQUQCHO-SNVBAGLBSA-N 2 2 170.300 1.470 40 0 ADABLP CCC[C@@H](C)[N@H+]1CCC[NH2+]CC1 38086824 167033643 /nfs/dbraw/zinc/03/36/43/167033643.db2.gz OGTWMAPCQUQCHO-SNVBAGLBSA-N 2 2 170.300 1.470 40 0 ADABLP CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 42544803 167036021 /nfs/dbraw/zinc/03/60/21/167036021.db2.gz NRGZPNMURQSORJ-ZJUUUORDSA-N 2 2 170.300 1.469 40 0 ADABLP CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 42544803 167036024 /nfs/dbraw/zinc/03/60/24/167036024.db2.gz NRGZPNMURQSORJ-ZJUUUORDSA-N 2 2 170.300 1.469 40 0 ADABLP CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42544799 167036849 /nfs/dbraw/zinc/03/68/49/167036849.db2.gz NRGZPNMURQSORJ-NXEZZACHSA-N 2 2 170.300 1.469 40 0 ADABLP CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42544799 167036851 /nfs/dbraw/zinc/03/68/51/167036851.db2.gz NRGZPNMURQSORJ-NXEZZACHSA-N 2 2 170.300 1.469 40 0 ADABLP CCC[C@@H](CC)[N@@H+]1CCC[NH2+]CC1 50407905 167037768 /nfs/dbraw/zinc/03/77/68/167037768.db2.gz OMJNCVUWGATYPM-LLVKDONJSA-N 2 2 184.327 1.860 40 0 ADABLP CCC[C@@H](CC)[N@H+]1CCC[NH2+]CC1 50407905 167037770 /nfs/dbraw/zinc/03/77/70/167037770.db2.gz OMJNCVUWGATYPM-LLVKDONJSA-N 2 2 184.327 1.860 40 0 ADABLP CCC[C@@H]([NH3+])C[NH+]1CCCCCC1 36873509 167045126 /nfs/dbraw/zinc/04/51/26/167045126.db2.gz DCYHWJKDEKNIPR-LLVKDONJSA-N 2 2 184.327 1.990 40 0 ADABLP CCC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C1 42545090 167063610 /nfs/dbraw/zinc/06/36/10/167063610.db2.gz NFRWLNRUJPKAQZ-QWRGUYRKSA-N 2 2 184.327 1.716 40 0 ADABLP CCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C1 42545090 167063613 /nfs/dbraw/zinc/06/36/13/167063613.db2.gz NFRWLNRUJPKAQZ-QWRGUYRKSA-N 2 2 184.327 1.716 40 0 ADABLP CCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C1 42545086 167065153 /nfs/dbraw/zinc/06/51/53/167065153.db2.gz NFRWLNRUJPKAQZ-WDEREUQCSA-N 2 2 184.327 1.716 40 0 ADABLP CCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C1 42545086 167065155 /nfs/dbraw/zinc/06/51/55/167065155.db2.gz NFRWLNRUJPKAQZ-WDEREUQCSA-N 2 2 184.327 1.716 40 0 ADABLP CCC[C@H](C)[N@@H+]1CCC[NH2+]CC1 38086825 167066078 /nfs/dbraw/zinc/06/60/78/167066078.db2.gz OGTWMAPCQUQCHO-JTQLQIEISA-N 2 2 170.300 1.470 40 0 ADABLP CCC[C@H](C)[N@H+]1CCC[NH2+]CC1 38086825 167066079 /nfs/dbraw/zinc/06/60/79/167066079.db2.gz OGTWMAPCQUQCHO-JTQLQIEISA-N 2 2 170.300 1.470 40 0 ADABLP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42544801 167071464 /nfs/dbraw/zinc/07/14/64/167071464.db2.gz NRGZPNMURQSORJ-VHSXEESVSA-N 2 2 170.300 1.469 40 0 ADABLP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42544801 167071466 /nfs/dbraw/zinc/07/14/66/167071466.db2.gz NRGZPNMURQSORJ-VHSXEESVSA-N 2 2 170.300 1.469 40 0 ADABLP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 42544805 167071730 /nfs/dbraw/zinc/07/17/30/167071730.db2.gz NRGZPNMURQSORJ-UWVGGRQHSA-N 2 2 170.300 1.469 40 0 ADABLP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 42544805 167071731 /nfs/dbraw/zinc/07/17/31/167071731.db2.gz NRGZPNMURQSORJ-UWVGGRQHSA-N 2 2 170.300 1.469 40 0 ADABLP CCC[C@H](CC)[N@@H+]1CCC[NH2+]CC1 50407906 167076002 /nfs/dbraw/zinc/07/60/02/167076002.db2.gz OMJNCVUWGATYPM-NSHDSACASA-N 2 2 184.327 1.860 40 0 ADABLP CCC[C@H](CC)[N@H+]1CCC[NH2+]CC1 50407906 167076003 /nfs/dbraw/zinc/07/60/03/167076003.db2.gz OMJNCVUWGATYPM-NSHDSACASA-N 2 2 184.327 1.860 40 0 ADABLP CCC[C@H]([NH3+])C[NH+]1CCCCCC1 36873508 167080826 /nfs/dbraw/zinc/08/08/26/167080826.db2.gz DCYHWJKDEKNIPR-NSHDSACASA-N 2 2 184.327 1.990 40 0 ADABLP CCCc1ccc([C@@H]([NH3+])C[NH3+])cc1 44469590 167103719 /nfs/dbraw/zinc/10/37/19/167103719.db2.gz SMNJMXWSLPERJO-NSHDSACASA-N 2 2 178.279 1.598 40 0 ADABLP CCCc1ccc([C@H]([NH3+])C[NH3+])cc1 44469587 167104092 /nfs/dbraw/zinc/10/40/92/167104092.db2.gz SMNJMXWSLPERJO-LLVKDONJSA-N 2 2 178.279 1.598 40 0 ADABLP CC[NH+](CC)Cc1nc2c(o1)C[NH2+]C2 96086742 167169110 /nfs/dbraw/zinc/16/91/10/167169110.db2.gz APTNBLJYDCFEHH-UHFFFAOYSA-N 2 2 195.266 1.120 40 0 ADABLP CC[N@H+](CC[NH3+])Cc1ccccc1C 36198859 167182985 /nfs/dbraw/zinc/18/29/85/167182985.db2.gz YDLOCTVCSFJOBK-UHFFFAOYSA-N 2 2 192.306 1.776 40 0 ADABLP CC[N@@H+](CC[NH3+])Cc1ccccc1C 36198859 167182990 /nfs/dbraw/zinc/18/29/90/167182990.db2.gz YDLOCTVCSFJOBK-UHFFFAOYSA-N 2 2 192.306 1.776 40 0 ADABLP CC[N@H+](CC[NH3+])Cc1cccc(C)c1 41055841 167184062 /nfs/dbraw/zinc/18/40/62/167184062.db2.gz DSTVTDMIGUGUSV-UHFFFAOYSA-N 2 2 192.306 1.776 40 0 ADABLP CC[N@@H+](CC[NH3+])Cc1cccc(C)c1 41055841 167184064 /nfs/dbraw/zinc/18/40/64/167184064.db2.gz DSTVTDMIGUGUSV-UHFFFAOYSA-N 2 2 192.306 1.776 40 0 ADABLP CC[N@H+](CC[NH3+])Cc1ccc(F)cc1 39318907 167185972 /nfs/dbraw/zinc/18/59/72/167185972.db2.gz HGNCKYJSIMKXGG-UHFFFAOYSA-N 2 2 196.269 1.606 40 0 ADABLP CC[N@@H+](CC[NH3+])Cc1ccc(F)cc1 39318907 167185974 /nfs/dbraw/zinc/18/59/74/167185974.db2.gz HGNCKYJSIMKXGG-UHFFFAOYSA-N 2 2 196.269 1.606 40 0 ADABLP CC[N@H+](CC[NH3+])Cc1ccc(C)cc1 41055902 167186617 /nfs/dbraw/zinc/18/66/17/167186617.db2.gz GJTZUEAFCBMJOL-UHFFFAOYSA-N 2 2 192.306 1.776 40 0 ADABLP CC[N@@H+](CC[NH3+])Cc1ccc(C)cc1 41055902 167186619 /nfs/dbraw/zinc/18/66/19/167186619.db2.gz GJTZUEAFCBMJOL-UHFFFAOYSA-N 2 2 192.306 1.776 40 0 ADABLP CC[N@H+](CC[NH3+])Cc1cccc(F)c1 41055887 167186681 /nfs/dbraw/zinc/18/66/81/167186681.db2.gz CYSKDKJKTCAVEI-UHFFFAOYSA-N 2 2 196.269 1.606 40 0 ADABLP CC[N@@H+](CC[NH3+])Cc1cccc(F)c1 41055887 167186685 /nfs/dbraw/zinc/18/66/85/167186685.db2.gz CYSKDKJKTCAVEI-UHFFFAOYSA-N 2 2 196.269 1.606 40 0 ADABLP CC[N@@H+](Cc1ccncc1)C[C@@H](C)[NH3+] 44384431 167192595 /nfs/dbraw/zinc/19/25/95/167192595.db2.gz BOWFVIVRNXVDNF-SNVBAGLBSA-N 2 2 193.294 1.251 40 0 ADABLP CC[N@H+](Cc1ccncc1)C[C@@H](C)[NH3+] 44384431 167192598 /nfs/dbraw/zinc/19/25/98/167192598.db2.gz BOWFVIVRNXVDNF-SNVBAGLBSA-N 2 2 193.294 1.251 40 0 ADABLP CC[N@@H+](Cc1ccncc1)C[C@H](C)[NH3+] 44384434 167193186 /nfs/dbraw/zinc/19/31/86/167193186.db2.gz BOWFVIVRNXVDNF-JTQLQIEISA-N 2 2 193.294 1.251 40 0 ADABLP CC[N@H+](Cc1ccncc1)C[C@H](C)[NH3+] 44384434 167193188 /nfs/dbraw/zinc/19/31/88/167193188.db2.gz BOWFVIVRNXVDNF-JTQLQIEISA-N 2 2 193.294 1.251 40 0 ADABLP CC[N@@H+]1CCC[C@H]1C[NH2+]CC(C)C 19959743 167206322 /nfs/dbraw/zinc/20/63/22/167206322.db2.gz FTNGBNWRAYGJJN-NSHDSACASA-N 2 2 184.327 1.716 40 0 ADABLP CC[N@H+]1CCC[C@H]1C[NH2+]CC(C)C 19959743 167206324 /nfs/dbraw/zinc/20/63/24/167206324.db2.gz FTNGBNWRAYGJJN-NSHDSACASA-N 2 2 184.327 1.716 40 0 ADABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)C 19959739 167206444 /nfs/dbraw/zinc/20/64/44/167206444.db2.gz FTNGBNWRAYGJJN-LLVKDONJSA-N 2 2 184.327 1.716 40 0 ADABLP CC[N@H+]1CCC[C@@H]1C[NH2+]CC(C)C 19959739 167206449 /nfs/dbraw/zinc/20/64/49/167206449.db2.gz FTNGBNWRAYGJJN-LLVKDONJSA-N 2 2 184.327 1.716 40 0 ADABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC1 44480136 167207267 /nfs/dbraw/zinc/20/72/67/167207267.db2.gz PCRPCFUSIYBRKT-LLVKDONJSA-N 2 2 182.311 1.613 40 0 ADABLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC1 44480136 167207269 /nfs/dbraw/zinc/20/72/69/167207269.db2.gz PCRPCFUSIYBRKT-LLVKDONJSA-N 2 2 182.311 1.613 40 0 ADABLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC1 44480138 167208514 /nfs/dbraw/zinc/20/85/14/167208514.db2.gz PCRPCFUSIYBRKT-NSHDSACASA-N 2 2 182.311 1.613 40 0 ADABLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC1 44480138 167208515 /nfs/dbraw/zinc/20/85/15/167208515.db2.gz PCRPCFUSIYBRKT-NSHDSACASA-N 2 2 182.311 1.613 40 0 ADABLP CC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] 51860224 167227544 /nfs/dbraw/zinc/22/75/44/167227544.db2.gz YIAGGQNVPUPXCV-LBPRGKRZSA-N 2 2 190.290 1.392 40 0 ADABLP CC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] 51860224 167227548 /nfs/dbraw/zinc/22/75/48/167227548.db2.gz YIAGGQNVPUPXCV-LBPRGKRZSA-N 2 2 190.290 1.392 40 0 ADABLP CC[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] 51860223 167227647 /nfs/dbraw/zinc/22/76/47/167227647.db2.gz YIAGGQNVPUPXCV-GFCCVEGCSA-N 2 2 190.290 1.392 40 0 ADABLP CC[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] 51860223 167227651 /nfs/dbraw/zinc/22/76/51/167227651.db2.gz YIAGGQNVPUPXCV-GFCCVEGCSA-N 2 2 190.290 1.392 40 0 ADABLP CC[NH2+]C[C@@H]1CCCC[N@@H+]1C 22073467 167272458 /nfs/dbraw/zinc/27/24/58/167272458.db2.gz MVSNRUSDMXJJAY-VIFPVBQESA-N 2 2 156.273 1.080 40 0 ADABLP CC[NH2+]C[C@@H]1CCCC[N@H+]1C 22073467 167272459 /nfs/dbraw/zinc/27/24/59/167272459.db2.gz MVSNRUSDMXJJAY-VIFPVBQESA-N 2 2 156.273 1.080 40 0 ADABLP CC[NH2+]C[C@H]1CCCC[N@@H+]1C 22073470 167272982 /nfs/dbraw/zinc/27/29/82/167272982.db2.gz MVSNRUSDMXJJAY-SECBINFHSA-N 2 2 156.273 1.080 40 0 ADABLP CC[NH2+]C[C@H]1CCCC[N@H+]1C 22073470 167272986 /nfs/dbraw/zinc/27/29/86/167272986.db2.gz MVSNRUSDMXJJAY-SECBINFHSA-N 2 2 156.273 1.080 40 0 ADABLP CC[NH2+][C@@H](C)C[NH+]1CCCCC1 22073596 167284272 /nfs/dbraw/zinc/28/42/72/167284272.db2.gz DDFSZARSMCLBSC-JTQLQIEISA-N 2 2 170.300 1.470 40 0 ADABLP CC[NH2+][C@@H](C[NH3+])c1ccccc1 34091709 167287778 /nfs/dbraw/zinc/28/77/78/167287778.db2.gz WAXNFSGRENVZTC-JTQLQIEISA-N 2 2 164.252 1.296 40 0 ADABLP CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 83255420 167290827 /nfs/dbraw/zinc/29/08/27/167290827.db2.gz FQZDGDDBZHHSGC-GHMZBOCLSA-N 2 2 182.311 1.613 40 0 ADABLP CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 83255420 167290830 /nfs/dbraw/zinc/29/08/30/167290830.db2.gz FQZDGDDBZHHSGC-GHMZBOCLSA-N 2 2 182.311 1.613 40 0 ADABLP CC[NH2+][C@H](C)C[NH+]1CCCCC1 22073598 167295974 /nfs/dbraw/zinc/29/59/74/167295974.db2.gz DDFSZARSMCLBSC-SNVBAGLBSA-N 2 2 170.300 1.470 40 0 ADABLP CC[NH2+][C@H](C[NH3+])c1ccccc1 34091710 167299721 /nfs/dbraw/zinc/29/97/21/167299721.db2.gz WAXNFSGRENVZTC-SNVBAGLBSA-N 2 2 164.252 1.296 40 0 ADABLP CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 83255422 167301597 /nfs/dbraw/zinc/30/15/97/167301597.db2.gz FQZDGDDBZHHSGC-WDEREUQCSA-N 2 2 182.311 1.613 40 0 ADABLP CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 83255422 167301601 /nfs/dbraw/zinc/30/16/01/167301601.db2.gz FQZDGDDBZHHSGC-WDEREUQCSA-N 2 2 182.311 1.613 40 0 ADABLP C[NH+](C)[C@H](C[NH3+])Cc1ccccc1 19803026 167852572 /nfs/dbraw/zinc/85/25/72/167852572.db2.gz UNKNAPRNXOMOJQ-NSHDSACASA-N 2 2 178.279 1.118 40 0 in-vitro ADABLP C[NH2+]Cc1ccc2[nH+]ccn2c1 5177610 168019222 /nfs/dbraw/zinc/01/92/22/168019222.db2.gz VTAYGJSBPFKWJX-UHFFFAOYSA-N 2 2 161.208 1.054 40 0 in-vitro ADABLP C[NH2+][C@@H](C[NH3+])c1cccc(F)c1 50269800 168036190 /nfs/dbraw/zinc/03/61/90/168036190.db2.gz VOOAEMBLRKTARJ-VIFPVBQESA-N 2 2 168.215 1.045 40 0 ADABLP C[NH2+][C@@H](C[NH3+])c1cccc(C)c1 50269783 168036244 /nfs/dbraw/zinc/03/62/44/168036244.db2.gz LRDMTXOBQXSQOH-JTQLQIEISA-N 2 2 164.252 1.214 40 0 ADABLP C[NH2+][C@@H](C[NH3+])c1ccccc1F 50269908 168036740 /nfs/dbraw/zinc/03/67/40/168036740.db2.gz QLJQXYUCKQSSQK-VIFPVBQESA-N 2 2 168.215 1.045 40 0 ADABLP C[NH2+][C@@H](C[NH3+])c1ccc(Cl)cc1 34120420 168036858 /nfs/dbraw/zinc/03/68/58/168036858.db2.gz KPQZISSEMVVSBK-VIFPVBQESA-N 2 2 184.670 1.559 40 0 ADABLP C[NH2+][C@@H](C[NH3+])c1ccc(F)cc1F 50269880 168036896 /nfs/dbraw/zinc/03/68/96/168036896.db2.gz ZFVRCXRJCONKFF-VIFPVBQESA-N 2 2 186.205 1.184 40 0 ADABLP C[NH2+][C@@H](C[NH3+])c1ccc(C)cc1 50269781 168037077 /nfs/dbraw/zinc/03/70/77/168037077.db2.gz SZGJSNBRNKEPLO-JTQLQIEISA-N 2 2 164.252 1.214 40 0 ADABLP C[NH2+][C@@H](C[NH3+])c1cccc(Cl)c1 50269794 168037262 /nfs/dbraw/zinc/03/72/62/168037262.db2.gz CLPUFFJFFCYZOG-VIFPVBQESA-N 2 2 184.670 1.559 40 0 ADABLP C[NH2+][C@@H](C[NH3+])c1cc(F)ccc1F 50269976 168037858 /nfs/dbraw/zinc/03/78/58/168037858.db2.gz ZPQZEYGTNOHXKM-VIFPVBQESA-N 2 2 186.205 1.184 40 0 ADABLP C[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)C(C)C 100450602 168040952 /nfs/dbraw/zinc/04/09/52/168040952.db2.gz JMOLBPGYGHYUIG-MNOVXSKESA-N 2 2 184.327 1.857 40 0 ADABLP C[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)C(C)C 100450602 168040953 /nfs/dbraw/zinc/04/09/53/168040953.db2.gz JMOLBPGYGHYUIG-MNOVXSKESA-N 2 2 184.327 1.857 40 0 ADABLP C[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)C(C)C 100450606 168042122 /nfs/dbraw/zinc/04/21/22/168042122.db2.gz JMOLBPGYGHYUIG-GHMZBOCLSA-N 2 2 184.327 1.857 40 0 ADABLP C[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)C(C)C 100450606 168042123 /nfs/dbraw/zinc/04/21/23/168042123.db2.gz JMOLBPGYGHYUIG-GHMZBOCLSA-N 2 2 184.327 1.857 40 0 ADABLP C[NH2+][C@H](C[NH3+])c1ccc(F)cc1F 50269881 168053121 /nfs/dbraw/zinc/05/31/21/168053121.db2.gz ZFVRCXRJCONKFF-SECBINFHSA-N 2 2 186.205 1.184 40 0 ADABLP C[NH2+][C@H](C[NH3+])c1cc(F)ccc1F 50269977 168053278 /nfs/dbraw/zinc/05/32/78/168053278.db2.gz ZPQZEYGTNOHXKM-SECBINFHSA-N 2 2 186.205 1.184 40 0 ADABLP C[NH2+][C@H](C[NH3+])c1ccccc1F 50269909 168053829 /nfs/dbraw/zinc/05/38/29/168053829.db2.gz QLJQXYUCKQSSQK-SECBINFHSA-N 2 2 168.215 1.045 40 0 ADABLP C[NH2+][C@H](C[NH3+])c1cccc(C)c1 50269782 168053909 /nfs/dbraw/zinc/05/39/09/168053909.db2.gz LRDMTXOBQXSQOH-SNVBAGLBSA-N 2 2 164.252 1.214 40 0 ADABLP C[NH2+][C@H](C[NH3+])c1cccc(Cl)c1 50269795 168054117 /nfs/dbraw/zinc/05/41/17/168054117.db2.gz CLPUFFJFFCYZOG-SECBINFHSA-N 2 2 184.670 1.559 40 0 ADABLP C[NH2+][C@H](C[NH3+])c1ccc(C)cc1 50269780 168054182 /nfs/dbraw/zinc/05/41/82/168054182.db2.gz SZGJSNBRNKEPLO-SNVBAGLBSA-N 2 2 164.252 1.214 40 0 ADABLP C[NH2+][C@H](C[NH3+])c1ccc(Cl)cc1 34120421 168054577 /nfs/dbraw/zinc/05/45/77/168054577.db2.gz KPQZISSEMVVSBK-SECBINFHSA-N 2 2 184.670 1.559 40 0 ADABLP C[NH2+][C@H](C[NH3+])c1cccc(F)c1 50269801 168054729 /nfs/dbraw/zinc/05/47/29/168054729.db2.gz VOOAEMBLRKTARJ-SECBINFHSA-N 2 2 168.215 1.045 40 0 ADABLP C[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)C(C)C 43813214 168056253 /nfs/dbraw/zinc/05/62/53/168056253.db2.gz JMOLBPGYGHYUIG-QWRGUYRKSA-N 2 2 184.327 1.857 40 0 ADABLP C[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)C(C)C 43813214 168056256 /nfs/dbraw/zinc/05/62/56/168056256.db2.gz JMOLBPGYGHYUIG-QWRGUYRKSA-N 2 2 184.327 1.857 40 0 ADABLP C[NH2+][C@H]1CCCC[C@H]1[N@H+](C)C(C)C 43813212 168057906 /nfs/dbraw/zinc/05/79/06/168057906.db2.gz JMOLBPGYGHYUIG-WDEREUQCSA-N 2 2 184.327 1.857 40 0 ADABLP C[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)C(C)C 43813212 168057909 /nfs/dbraw/zinc/05/79/09/168057909.db2.gz JMOLBPGYGHYUIG-WDEREUQCSA-N 2 2 184.327 1.857 40 0 ADABLP COc1c(C)cccc1C[NH2+]CC[NH3+] 95094948 168224192 /nfs/dbraw/zinc/22/41/92/168224192.db2.gz UUNLLWCCBDITOJ-UHFFFAOYSA-N 2 2 194.278 1.052 40 0 ADABLP COc1cccc(C[N@H+](C)CC[NH3+])c1 33446127 168269831 /nfs/dbraw/zinc/26/98/31/168269831.db2.gz LBDYCFOIJJYHTN-UHFFFAOYSA-N 2 2 194.278 1.086 40 0 ADABLP COc1cccc(C[N@@H+](C)CC[NH3+])c1 33446127 168269832 /nfs/dbraw/zinc/26/98/32/168269832.db2.gz LBDYCFOIJJYHTN-UHFFFAOYSA-N 2 2 194.278 1.086 40 0 ADABLP C[C@@H]([NH3+])C[NH+]1CCCCCCC1 20265626 168363037 /nfs/dbraw/zinc/36/30/37/168363037.db2.gz OMZSJNSCEFMMNJ-SNVBAGLBSA-N 2 2 170.300 1.600 40 0 ADABLP C[C@@H]([NH3+])Cc1c[nH+]c2ccccn12 74308573 168366014 /nfs/dbraw/zinc/36/60/14/168366014.db2.gz JNELVNXLQSUDEE-MRVPVSSYSA-N 2 2 175.235 1.224 40 0 ADABLP C[C@@H]([NH3+])c1ccc2[nH+]ccn2c1 82850306 168369557 /nfs/dbraw/zinc/36/95/57/168369557.db2.gz KMGKBGKIVPXGBN-SSDOTTSWSA-N 2 2 161.208 1.354 40 0 ADABLP C[C@@H]([NH3+])c1ccn2cc[nH+]c2c1 82850309 168372497 /nfs/dbraw/zinc/37/24/97/168372497.db2.gz HETZXXVYMNMXOD-SSDOTTSWSA-N 2 2 161.208 1.354 40 0 ADABLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 42225977 168381429 /nfs/dbraw/zinc/38/14/29/168381429.db2.gz GQEDMDKBMNELON-LLVKDONJSA-N 2 2 196.338 1.860 40 0 ADABLP C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 37911182 168422191 /nfs/dbraw/zinc/42/21/91/168422191.db2.gz BMEIKBSYDWVNTP-ZJUUUORDSA-N 2 2 168.284 1.223 40 0 ADABLP C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 37911182 168422194 /nfs/dbraw/zinc/42/21/94/168422194.db2.gz BMEIKBSYDWVNTP-ZJUUUORDSA-N 2 2 168.284 1.223 40 0 ADABLP C[C@H]([NH3+])c1ccc2[nH+]ccn2c1 82850305 168554626 /nfs/dbraw/zinc/55/46/26/168554626.db2.gz KMGKBGKIVPXGBN-ZETCQYMHSA-N 2 2 161.208 1.354 40 0 ADABLP C[C@]([NH3+])(C[NH3+])c1ccccc1Cl 70453415 168681800 /nfs/dbraw/zinc/68/18/00/168681800.db2.gz RLCJPZPNNWSMSS-VIFPVBQESA-N 2 2 184.670 1.473 40 0 ADABLP FC1=CCC[N@H+](CCn2cc[nH+]c2)C1 334444502 169076875 /nfs/dbraw/zinc/07/68/75/169076875.db2.gz NIOPENRKLZFRHR-UHFFFAOYSA-N 2 2 195.241 1.442 40 0 ADABLP FC1=CCC[N@@H+](CCn2cc[nH+]c2)C1 334444502 169076876 /nfs/dbraw/zinc/07/68/76/169076876.db2.gz NIOPENRKLZFRHR-UHFFFAOYSA-N 2 2 195.241 1.442 40 0 ADABLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 72202840 169082459 /nfs/dbraw/zinc/08/24/59/169082459.db2.gz IBDUUDCIZIJWGF-LLVKDONJSA-N 2 2 194.253 1.277 40 0 ADABLP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 72202841 169083113 /nfs/dbraw/zinc/08/31/13/169083113.db2.gz IBDUUDCIZIJWGF-NSHDSACASA-N 2 2 194.253 1.277 40 0 ADABLP Fc1ccc([C@@H]2C[NH2+]CCC[NH2+]2)cc1 22462453 169084434 /nfs/dbraw/zinc/08/44/34/169084434.db2.gz OXKNIHOYPDELEZ-NSHDSACASA-N 2 2 194.253 1.450 40 0 ADABLP Fc1ccc([C@H]2C[NH2+]CCC[NH2+]2)cc1 22462459 169084995 /nfs/dbraw/zinc/08/49/95/169084995.db2.gz OXKNIHOYPDELEZ-LLVKDONJSA-N 2 2 194.253 1.450 40 0 ADABLP Fc1cccc([C@@H]2C[NH2+]CCC[NH2+]2)c1 22462442 169085716 /nfs/dbraw/zinc/08/57/16/169085716.db2.gz KYRIRQVVVKBTIE-NSHDSACASA-N 2 2 194.253 1.450 40 0 ADABLP Fc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 72202906 169086050 /nfs/dbraw/zinc/08/60/50/169086050.db2.gz MGGPWAQEEQHXGW-NSHDSACASA-N 2 2 194.253 1.277 40 0 ADABLP Fc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 72202905 169086337 /nfs/dbraw/zinc/08/63/37/169086337.db2.gz MGGPWAQEEQHXGW-LLVKDONJSA-N 2 2 194.253 1.277 40 0 ADABLP Fc1cccc([C@H]2C[NH2+]CCC[NH2+]2)c1 22462448 169087468 /nfs/dbraw/zinc/08/74/68/169087468.db2.gz KYRIRQVVVKBTIE-LLVKDONJSA-N 2 2 194.253 1.450 40 0 ADABLP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccco1 22762994 169186475 /nfs/dbraw/zinc/18/64/75/169186475.db2.gz YSXBIFKBLPCELS-SECBINFHSA-N 2 2 180.251 1.375 40 0 ADABLP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccco1 22762994 169186477 /nfs/dbraw/zinc/18/64/77/169186477.db2.gz YSXBIFKBLPCELS-SECBINFHSA-N 2 2 180.251 1.375 40 0 ADABLP [NH3+]CC[NH+]1CC2CCC(CC2)C1 19365446 169186502 /nfs/dbraw/zinc/18/65/02/169186502.db2.gz CMDZCNVXUJPTRB-UHFFFAOYSA-N 2 2 168.284 1.067 40 0 ADABLP [NH3+]CC[N@H+](Cc1ccccc1)C1CC1 19364731 169186713 /nfs/dbraw/zinc/18/67/13/169186713.db2.gz GSKTVDXUOMLCFU-UHFFFAOYSA-N 2 2 190.290 1.610 40 0 ADABLP [NH3+]CC[N@@H+](Cc1ccccc1)C1CC1 19364731 169186715 /nfs/dbraw/zinc/18/67/15/169186715.db2.gz GSKTVDXUOMLCFU-UHFFFAOYSA-N 2 2 190.290 1.610 40 0 ADABLP [NH3+]CC[NH+]1CCC2(CCCCC2)CC1 61818001 169186826 /nfs/dbraw/zinc/18/68/26/169186826.db2.gz ZZNMKDXTNSHUCE-UHFFFAOYSA-N 2 2 196.338 1.991 40 0 in-vitro ADABLP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cccs1 22763242 169186828 /nfs/dbraw/zinc/18/68/28/169186828.db2.gz MYJFSOVYLJUIJM-SECBINFHSA-N 2 2 196.319 1.844 40 0 ADABLP [NH3+]CC[N@H+]1CCC[C@@H]1c1cccs1 22763242 169186830 /nfs/dbraw/zinc/18/68/30/169186830.db2.gz MYJFSOVYLJUIJM-SECBINFHSA-N 2 2 196.319 1.844 40 0 ADABLP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccco1 22762998 169187304 /nfs/dbraw/zinc/18/73/04/169187304.db2.gz YSXBIFKBLPCELS-VIFPVBQESA-N 2 2 180.251 1.375 40 0 ADABLP [NH3+]CC[N@H+]1CCC[C@H]1c1ccco1 22762998 169187305 /nfs/dbraw/zinc/18/73/05/169187305.db2.gz YSXBIFKBLPCELS-VIFPVBQESA-N 2 2 180.251 1.375 40 0 ADABLP [NH3+]CC[N@@H+]1CCC[C@H]1c1cccs1 22763246 169187360 /nfs/dbraw/zinc/18/73/60/169187360.db2.gz MYJFSOVYLJUIJM-VIFPVBQESA-N 2 2 196.319 1.844 40 0 ADABLP [NH3+]CC[N@H+]1CCC[C@H]1c1cccs1 22763246 169187361 /nfs/dbraw/zinc/18/73/61/169187361.db2.gz MYJFSOVYLJUIJM-VIFPVBQESA-N 2 2 196.319 1.844 40 0 ADABLP [NH3+]CC[NH2+]C/C=C/c1ccccc1 51790462 169190652 /nfs/dbraw/zinc/19/06/52/169190652.db2.gz LONCNVMFCFIQBK-QPJJXVBHSA-N 2 2 176.263 1.248 40 0 ADABLP [NH3+]CCc1ccc2[nH]c[nH+]c2c1 36197596 169197530 /nfs/dbraw/zinc/19/75/30/169197530.db2.gz GQLYNPJBFLEOIS-UHFFFAOYSA-N 2 2 161.208 1.064 40 0 ADABLP [NH3+]C[C@@H]([NH3+])c1ccccc1Cl 35677146 169202634 /nfs/dbraw/zinc/20/26/34/169202634.db2.gz BRKMFMWSBIXVBA-MRVPVSSYSA-N 2 2 170.643 1.299 40 0 ADABLP [NH3+]C[C@@H]([NH3+])c1ccc(Cl)c(F)c1 44469858 169202729 /nfs/dbraw/zinc/20/27/29/169202729.db2.gz GAOJCSQSPWZESZ-MRVPVSSYSA-N 2 2 188.633 1.438 40 0 ADABLP [NH3+]C[C@@H]([NH3+])c1c(F)cccc1Cl 35677132 169203149 /nfs/dbraw/zinc/20/31/49/169203149.db2.gz YZBHCQJZLXTAEG-SSDOTTSWSA-N 2 2 188.633 1.438 40 0 ADABLP [NH3+]C[C@@H]([NH3+])c1cccc2cnccc12 44472849 169203651 /nfs/dbraw/zinc/20/36/51/169203651.db2.gz DMQDDQCZWDHEJQ-LLVKDONJSA-N 2 2 187.246 1.193 40 0 ADABLP [NH3+]C[C@@H]([NH3+])c1cccc(Cl)c1 35677104 169203978 /nfs/dbraw/zinc/20/39/78/169203978.db2.gz WZVIRRGVMXESBR-MRVPVSSYSA-N 2 2 170.643 1.299 40 0 ADABLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccoc1 63048083 169206084 /nfs/dbraw/zinc/20/60/84/169206084.db2.gz ZDSLTIRJJWVSBL-NSHDSACASA-N 2 2 194.278 1.593 40 0 ADABLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccoc1 63048083 169206085 /nfs/dbraw/zinc/20/60/85/169206085.db2.gz ZDSLTIRJJWVSBL-NSHDSACASA-N 2 2 194.278 1.593 40 0 ADABLP [NH3+]C[C@@H](c1ccccn1)[NH+]1CCCC1 19265416 169206164 /nfs/dbraw/zinc/20/61/64/169206164.db2.gz UOJTXPPLRYKTLL-NSHDSACASA-N 2 2 191.278 1.177 40 0 ADABLP [NH3+]C[C@@H](c1ccccc1)n1cc[nH+]c1 42899528 169206905 /nfs/dbraw/zinc/20/69/05/169206905.db2.gz COYZKHOKOLGCDZ-NSHDSACASA-N 2 2 187.246 1.431 40 0 ADABLP [NH3+]C[C@H]([NH3+])c1ccc(Cl)c(F)c1 44469861 169212400 /nfs/dbraw/zinc/21/24/00/169212400.db2.gz GAOJCSQSPWZESZ-QMMMGPOBSA-N 2 2 188.633 1.438 40 0 ADABLP [NH3+]C[C@H]([NH3+])c1cccc(Cl)c1 35677105 169212786 /nfs/dbraw/zinc/21/27/86/169212786.db2.gz WZVIRRGVMXESBR-QMMMGPOBSA-N 2 2 170.643 1.299 40 0 ADABLP [NH3+]C[C@H]([NH3+])c1cccc2cnccc12 44472852 169212929 /nfs/dbraw/zinc/21/29/29/169212929.db2.gz DMQDDQCZWDHEJQ-NSHDSACASA-N 2 2 187.246 1.193 40 0 ADABLP [NH3+]C[C@H]([NH3+])c1ccccc1Cl 35677147 169213071 /nfs/dbraw/zinc/21/30/71/169213071.db2.gz BRKMFMWSBIXVBA-QMMMGPOBSA-N 2 2 170.643 1.299 40 0 ADABLP [NH3+]C[C@H]([NH3+])c1c(F)cccc1Cl 35677133 169213261 /nfs/dbraw/zinc/21/32/61/169213261.db2.gz YZBHCQJZLXTAEG-ZETCQYMHSA-N 2 2 188.633 1.438 40 0 ADABLP [NH3+]C[C@H](c1ccccn1)[NH+]1CCCC1 19265414 169213549 /nfs/dbraw/zinc/21/35/49/169213549.db2.gz UOJTXPPLRYKTLL-LLVKDONJSA-N 2 2 191.278 1.177 40 0 ADABLP [NH3+]C[C@H](c1ccccc1)n1cc[nH+]c1 42899525 169214283 /nfs/dbraw/zinc/21/42/83/169214283.db2.gz COYZKHOKOLGCDZ-LLVKDONJSA-N 2 2 187.246 1.431 40 0 ADABLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccoc1 63048082 169214918 /nfs/dbraw/zinc/21/49/18/169214918.db2.gz ZDSLTIRJJWVSBL-LLVKDONJSA-N 2 2 194.278 1.593 40 0 ADABLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccoc1 63048082 169214919 /nfs/dbraw/zinc/21/49/19/169214919.db2.gz ZDSLTIRJJWVSBL-LLVKDONJSA-N 2 2 194.278 1.593 40 0 ADABLP [NH3+]Cc1c[nH+]ccc1N1CCCC1 83272710 169227432 /nfs/dbraw/zinc/22/74/32/169227432.db2.gz JDIOHUJLJBILAS-UHFFFAOYSA-N 2 2 177.251 1.141 40 0 ADABLP [NH3+]Cc1[nH+]c(C2CC2)n2ccccc12 20222746 169228901 /nfs/dbraw/zinc/22/89/01/169228901.db2.gz XZAZPPKPLLMANW-UHFFFAOYSA-N 2 2 187.246 1.670 40 0 ADABLP [NH3+]Cc1[nH+]ccc2[nH]ccc12 21020018 169231552 /nfs/dbraw/zinc/23/15/52/169231552.db2.gz UEBAOVJOSUDMQO-UHFFFAOYSA-N 2 2 147.181 1.022 40 0 ADABLP [NH3+][C@@H]1CCCC[C@@H]1OCc1c[nH]c[nH+]1 257198162 169251456 /nfs/dbraw/zinc/25/14/56/169251456.db2.gz VBVKIDJGXPYDJY-ZJUUUORDSA-N 2 2 195.266 1.196 40 0 ADABLP [NH3+][C@@H]1CCCC[C@@H]1OCc1c[nH+]c[nH]1 257198162 169251457 /nfs/dbraw/zinc/25/14/57/169251457.db2.gz VBVKIDJGXPYDJY-ZJUUUORDSA-N 2 2 195.266 1.196 40 0 ADABLP [NH3+][C@@H]1CCCC[C@H]1OCc1c[nH]c[nH+]1 257198159 169251766 /nfs/dbraw/zinc/25/17/66/169251766.db2.gz VBVKIDJGXPYDJY-NXEZZACHSA-N 2 2 195.266 1.196 40 0 ADABLP [NH3+][C@@H]1CCCC[C@H]1OCc1c[nH+]c[nH]1 257198159 169251767 /nfs/dbraw/zinc/25/17/67/169251767.db2.gz VBVKIDJGXPYDJY-NXEZZACHSA-N 2 2 195.266 1.196 40 0 ADABLP [NH3+][C@@H]1CCCC[C@@H]1[NH+]1CCCCC1 19396514 169251857 /nfs/dbraw/zinc/25/18/57/169251857.db2.gz QHFKXCGYRHKLNG-MNOVXSKESA-N 2 2 182.311 1.742 40 0 ADABLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccco1 218869488 169253350 /nfs/dbraw/zinc/25/33/50/169253350.db2.gz RUNITTNDDVUBFE-ZJUUUORDSA-N 2 2 180.251 1.249 40 0 ADABLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccco1 218869611 169253527 /nfs/dbraw/zinc/25/35/27/169253527.db2.gz RUNITTNDDVUBFE-NXEZZACHSA-N 2 2 180.251 1.249 40 0 ADABLP [NH3+][C@@H]1CC[N@H+](Cc2ccsc2)C1 50227859 169254150 /nfs/dbraw/zinc/25/41/50/169254150.db2.gz HOMXVWQSBMJCBB-SECBINFHSA-N 2 2 182.292 1.281 40 0 ADABLP [NH3+][C@@H]1CC[N@@H+](Cc2ccsc2)C1 50227859 169254151 /nfs/dbraw/zinc/25/41/51/169254151.db2.gz HOMXVWQSBMJCBB-SECBINFHSA-N 2 2 182.292 1.281 40 0 ADABLP [NH3+][C@@H]1CC[N@H+](CCc2ccccc2)C1 33426881 169254634 /nfs/dbraw/zinc/25/46/34/169254634.db2.gz YRKRLJLVSPPREA-GFCCVEGCSA-N 2 2 190.290 1.262 40 0 ADABLP [NH3+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 33426881 169254635 /nfs/dbraw/zinc/25/46/35/169254635.db2.gz YRKRLJLVSPPREA-GFCCVEGCSA-N 2 2 190.290 1.262 40 0 ADABLP [NH3+][C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 100267876 169255837 /nfs/dbraw/zinc/25/58/37/169255837.db2.gz QQJKATBTUNOFBF-AOOOYVTPSA-N 2 2 191.278 1.763 40 0 ADABLP [NH3+][C@H]1CCCC[C@@H]1[NH+]1CCCCC1 19396516 169271776 /nfs/dbraw/zinc/27/17/76/169271776.db2.gz QHFKXCGYRHKLNG-QWRGUYRKSA-N 2 2 182.311 1.742 40 0 ADABLP [NH3+][C@H]1CCCC[C@H]1[NH+]1CCCCC1 19396522 169271986 /nfs/dbraw/zinc/27/19/86/169271986.db2.gz QHFKXCGYRHKLNG-WDEREUQCSA-N 2 2 182.311 1.742 40 0 ADABLP [NH3+][C@H]1CCCC[C@H]1OCc1c[nH]c[nH+]1 257198161 169272068 /nfs/dbraw/zinc/27/20/68/169272068.db2.gz VBVKIDJGXPYDJY-VHSXEESVSA-N 2 2 195.266 1.196 40 0 ADABLP [NH3+][C@H]1CCCC[C@H]1OCc1c[nH+]c[nH]1 257198161 169272069 /nfs/dbraw/zinc/27/20/69/169272069.db2.gz VBVKIDJGXPYDJY-VHSXEESVSA-N 2 2 195.266 1.196 40 0 ADABLP [NH3+][C@H]1CCCC[C@@H]1OCc1c[nH]c[nH+]1 257198160 169272695 /nfs/dbraw/zinc/27/26/95/169272695.db2.gz VBVKIDJGXPYDJY-UWVGGRQHSA-N 2 2 195.266 1.196 40 0 ADABLP [NH3+][C@H]1CCCC[C@@H]1OCc1c[nH+]c[nH]1 257198160 169272697 /nfs/dbraw/zinc/27/26/97/169272697.db2.gz VBVKIDJGXPYDJY-UWVGGRQHSA-N 2 2 195.266 1.196 40 0 ADABLP [NH3+][C@H]1CCC[NH2+][C@H]1c1ccccc1 33961550 169272795 /nfs/dbraw/zinc/27/27/95/169272795.db2.gz GFMAFYNUQDLPBP-QWRGUYRKSA-N 2 2 176.263 1.438 40 0 ADABLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccco1 218869674 169273451 /nfs/dbraw/zinc/27/34/51/169273451.db2.gz RUNITTNDDVUBFE-VHSXEESVSA-N 2 2 180.251 1.249 40 0 ADABLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccco1 218869550 169273794 /nfs/dbraw/zinc/27/37/94/169273794.db2.gz RUNITTNDDVUBFE-UWVGGRQHSA-N 2 2 180.251 1.249 40 0 ADABLP [NH3+][C@H]1CC[N@H+](Cc2ccsc2)C1 50227858 169274620 /nfs/dbraw/zinc/27/46/20/169274620.db2.gz HOMXVWQSBMJCBB-VIFPVBQESA-N 2 2 182.292 1.281 40 0 ADABLP [NH3+][C@H]1CC[N@@H+](Cc2ccsc2)C1 50227858 169274621 /nfs/dbraw/zinc/27/46/21/169274621.db2.gz HOMXVWQSBMJCBB-VIFPVBQESA-N 2 2 182.292 1.281 40 0 ADABLP [NH3+][C@H]1CC[N@H+](CCc2ccccc2)C1 33426882 169274790 /nfs/dbraw/zinc/27/47/90/169274790.db2.gz YRKRLJLVSPPREA-LBPRGKRZSA-N 2 2 190.290 1.262 40 0 ADABLP [NH3+][C@H]1CC[N@@H+](CCc2ccccc2)C1 33426882 169274791 /nfs/dbraw/zinc/27/47/91/169274791.db2.gz YRKRLJLVSPPREA-LBPRGKRZSA-N 2 2 190.290 1.262 40 0 ADABLP c1ccc2c(c1)C[NH+]([C@H]1CC[NH2+]C1)C2 19927106 169479439 /nfs/dbraw/zinc/47/94/39/169479439.db2.gz ILSPSRZZCYJKIL-LBPRGKRZSA-N 2 2 188.274 1.364 40 0 ADABLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC1 53652002 171098456 /nfs/dbraw/zinc/09/84/56/171098456.db2.gz PKCDOFBZSCOQST-SNVBAGLBSA-N 2 2 168.284 1.223 40 0 ADABLP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CC1 53652002 171098457 /nfs/dbraw/zinc/09/84/57/171098457.db2.gz PKCDOFBZSCOQST-SNVBAGLBSA-N 2 2 168.284 1.223 40 0 ADABLP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CC1 53652004 171098866 /nfs/dbraw/zinc/09/88/66/171098866.db2.gz PKCDOFBZSCOQST-JTQLQIEISA-N 2 2 168.284 1.223 40 0 ADABLP C[N@H+]1CCCC[C@H]1C[NH2+]C1CC1 53652004 171098867 /nfs/dbraw/zinc/09/88/67/171098867.db2.gz PKCDOFBZSCOQST-JTQLQIEISA-N 2 2 168.284 1.223 40 0 ADABLP c1cc(C[N@@H+]2CCC[NH2+]CC2)co1 63048068 171103807 /nfs/dbraw/zinc/10/38/07/171103807.db2.gz SELZZYIEQCASDU-UHFFFAOYSA-N 2 2 180.251 1.075 40 0 ADABLP c1cc(C[N@H+]2CCC[NH2+]CC2)co1 63048068 171103809 /nfs/dbraw/zinc/10/38/09/171103809.db2.gz SELZZYIEQCASDU-UHFFFAOYSA-N 2 2 180.251 1.075 40 0 ADABLP Cc1ccccc1[C@@](C)(C[NH3+])[NH+](C)C 70453394 171105984 /nfs/dbraw/zinc/10/59/84/171105984.db2.gz HUKQKVWCQRJUFH-GFCCVEGCSA-N 2 2 192.306 1.731 40 0 ADABLP Cc1ccccc1[C@@](C)([NH3+])C[NH3+] 70453393 171106030 /nfs/dbraw/zinc/10/60/30/171106030.db2.gz MSIRFLDIMIOSKR-JTQLQIEISA-N 2 2 164.252 1.128 40 0 ADABLP [NH3+]C1CC[NH+](Cc2cncs2)CC1 72203320 171110006 /nfs/dbraw/zinc/11/00/06/171110006.db2.gz PHZSPKKVQGAEKR-UHFFFAOYSA-N 2 2 197.307 1.066 40 0 ADABLP Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]C1 72203908 171110418 /nfs/dbraw/zinc/11/04/18/171110418.db2.gz UBNYXDCYNVWWQH-GFCCVEGCSA-N 2 2 190.290 1.447 40 0 ADABLP Cc1ccccc1C[NH2+][C@H]1CC[NH2+]C1 72203909 171110465 /nfs/dbraw/zinc/11/04/65/171110465.db2.gz UBNYXDCYNVWWQH-LBPRGKRZSA-N 2 2 190.290 1.447 40 0 ADABLP Cc1ccccc1C[N@H+](C)CC[NH3+] 96319876 171185803 /nfs/dbraw/zinc/18/58/03/171185803.db2.gz YUSAKALVGXSLLY-UHFFFAOYSA-N 2 2 178.279 1.386 40 0 ADABLP Cc1ccccc1C[N@@H+](C)CC[NH3+] 96319876 171185806 /nfs/dbraw/zinc/18/58/06/171185806.db2.gz YUSAKALVGXSLLY-UHFFFAOYSA-N 2 2 178.279 1.386 40 0 ADABLP C[NH+]1CCC([NH+]2CCCC2)CC1 34492993 171216925 /nfs/dbraw/zinc/21/69/25/171216925.db2.gz BUHRTPXALUXAGG-UHFFFAOYSA-N 2 2 168.284 1.176 40 0 ADABLP CC(C)c1ccccc1[C@@H]([NH3+])C[NH3+] 44471564 171217621 /nfs/dbraw/zinc/21/76/21/171217621.db2.gz XBRGKPCPKIRMDL-NSHDSACASA-N 2 2 178.279 1.769 40 0 ADABLP CC(C)c1ccccc1[C@H]([NH3+])C[NH3+] 44471561 171217936 /nfs/dbraw/zinc/21/79/36/171217936.db2.gz XBRGKPCPKIRMDL-LLVKDONJSA-N 2 2 178.279 1.769 40 0 ADABLP CCOc1ccc([C@H](C[NH3+])[NH2+]C)cc1 50269823 351553449 /nfs/dbraw/zinc/55/34/49/351553449.db2.gz QIVARPXVECHOAT-NSHDSACASA-N 2 2 194.278 1.305 40 0 ADABLP c1cn2ccc([C@H]3CCC[NH2+]3)cc2[nH+]1 82879661 351642501 /nfs/dbraw/zinc/64/25/01/351642501.db2.gz CPPYQZWNHIDUNP-SNVBAGLBSA-N 2 2 187.246 1.759 40 0 ADABLP CCOc1ccccc1C[NH2+]CC[NH3+] 37712273 325600047 /nfs/dbraw/zinc/60/00/47/325600047.db2.gz XHBNIGKKLOGODU-UHFFFAOYSA-N 2 2 194.278 1.134 40 0 ADABLP Cc1ccc([C@H](C[NH3+])[NH+](C)C)cc1F 82503611 325607714 /nfs/dbraw/zinc/60/77/14/325607714.db2.gz PVBCATRNCNTMCX-NSHDSACASA-N 2 2 196.269 1.696 40 0 ADABLP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 225720234 325629755 /nfs/dbraw/zinc/62/97/55/325629755.db2.gz OJAKRWMKSPPCLX-MNOVXSKESA-N 2 2 194.278 1.639 40 0 ADABLP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccco1 225720314 325629849 /nfs/dbraw/zinc/62/98/49/325629849.db2.gz OJAKRWMKSPPCLX-WDEREUQCSA-N 2 2 194.278 1.639 40 0 ADABLP Cc1cc[nH+]c(NCC[NH+](C)C)c1 1602786 342951180 /nfs/dbraw/zinc/95/11/80/342951180.db2.gz FOHBMAJBNZFIKY-UHFFFAOYSA-N 2 2 179.267 1.364 40 0 ADABLP C[C@H]1CN1CCCC[N@@H+]1C[C@@H]1C 1686847 342958388 /nfs/dbraw/zinc/95/83/88/342958388.db2.gz SYYBGWWOUWTGIR-JYBOHDQNSA-N 2 2 168.284 1.175 40 0 ADABLP C[C@H]1CN1CCCC[N@H+]1C[C@@H]1C 1686847 342958389 /nfs/dbraw/zinc/95/83/89/342958389.db2.gz SYYBGWWOUWTGIR-JYBOHDQNSA-N 2 2 168.284 1.175 40 0 ADABLP C[C@H]1C[NH+]1CCCC[N@H+]1C[C@@H]1C 1686847 342958391 /nfs/dbraw/zinc/95/83/91/342958391.db2.gz SYYBGWWOUWTGIR-JYBOHDQNSA-N 2 2 168.284 1.175 40 0 ADABLP C[C@H]1C[NH+]1CCCC[N@@H+]1C[C@@H]1C 1686847 342958392 /nfs/dbraw/zinc/95/83/92/342958392.db2.gz SYYBGWWOUWTGIR-JYBOHDQNSA-N 2 2 168.284 1.175 40 0 ADABLP CC[C@H]1C[N@@H+]1CCCC[NH+]1C[C@H]1CC 4742131 342994409 /nfs/dbraw/zinc/99/44/09/342994409.db2.gz YQKOVEOSEKXNKB-VTXSZYRJSA-N 2 2 196.338 1.955 40 0 ADABLP CC[C@H]1C[N@H+]1CCCC[NH+]1C[C@H]1CC 4742131 342994411 /nfs/dbraw/zinc/99/44/11/342994411.db2.gz YQKOVEOSEKXNKB-VTXSZYRJSA-N 2 2 196.338 1.955 40 0 ADABLP CC[C@H]1C[NH+]1CCCC[N@@H+]1C[C@H]1CC 4742131 342994414 /nfs/dbraw/zinc/99/44/14/342994414.db2.gz YQKOVEOSEKXNKB-VTXSZYRJSA-N 2 2 196.338 1.955 40 0 ADABLP CC[C@H]1C[NH+]1CCCC[N@H+]1C[C@H]1CC 4742131 342994415 /nfs/dbraw/zinc/99/44/15/342994415.db2.gz YQKOVEOSEKXNKB-VTXSZYRJSA-N 2 2 196.338 1.955 40 0 ADABLP CC[C@H]1C[NH+]1CCCC[N@H+]1C[C@@H]1CC 4742133 342994543 /nfs/dbraw/zinc/99/45/43/342994543.db2.gz YQKOVEOSEKXNKB-FEPKRQSRSA-N 2 2 196.338 1.955 40 0 ADABLP CC[C@H]1C[NH+]1CCCC[N@@H+]1C[C@@H]1CC 4742133 342994545 /nfs/dbraw/zinc/99/45/45/342994545.db2.gz YQKOVEOSEKXNKB-FEPKRQSRSA-N 2 2 196.338 1.955 40 0 ADABLP CC1(C)C[NH+]1CCCC[N@H+]1CC1(C)C 4742134 342994983 /nfs/dbraw/zinc/99/49/83/342994983.db2.gz TVTOVQMQCYNMNJ-UHFFFAOYSA-N 2 2 196.338 1.955 40 0 ADABLP CC1(C)C[NH+]1CCCC[N@@H+]1CC1(C)C 4742134 342994986 /nfs/dbraw/zinc/99/49/86/342994986.db2.gz TVTOVQMQCYNMNJ-UHFFFAOYSA-N 2 2 196.338 1.955 40 0 ADABLP CC1=C[C@H]2[C@H]([NH+]=C1)C1CC[NH+]2CC1 6755495 343016402 /nfs/dbraw/zinc/01/64/02/343016402.db2.gz INAYCRVGTVBHBY-WDEREUQCSA-N 2 2 176.263 1.480 40 0 ADABLP CC1=C[C@@H]2[C@@H]([NH+]=C1)C1CC[NH+]2CC1 6755487 343016483 /nfs/dbraw/zinc/01/64/83/343016483.db2.gz INAYCRVGTVBHBY-MNOVXSKESA-N 2 2 176.263 1.480 40 0 ADABLP CC1=C[C@@H]2[C@H]([NH+]=C1)C1CC[NH+]2CC1 6755484 343016505 /nfs/dbraw/zinc/01/65/05/343016505.db2.gz INAYCRVGTVBHBY-GHMZBOCLSA-N 2 2 176.263 1.480 40 0 ADABLP Cc1cc(NCC[NH3+])nc(C(C)C)[nH+]1 8731072 343020827 /nfs/dbraw/zinc/02/08/27/343020827.db2.gz XJBFWXSVDPRRLL-UHFFFAOYSA-N 2 2 194.282 1.279 40 0 in-vitro ADABLP CC[C@]([NH3+])(C[NH3+])c1ccccc1 19369239 343053295 /nfs/dbraw/zinc/05/32/95/343053295.db2.gz CBBWBITZUIWDJB-JTQLQIEISA-N 2 2 164.252 1.209 40 0 ADABLP CC[C@@]([NH3+])(C[NH3+])c1ccccc1 19369237 343053510 /nfs/dbraw/zinc/05/35/10/343053510.db2.gz CBBWBITZUIWDJB-SNVBAGLBSA-N 2 2 164.252 1.209 40 0 ADABLP C[NH+](C)[C@@H](C[NH3+])Cc1ccccc1 19803025 343060974 /nfs/dbraw/zinc/06/09/74/343060974.db2.gz UNKNAPRNXOMOJQ-LLVKDONJSA-N 2 2 178.279 1.118 40 0 in-vitro ADABLP C[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] 19929410 343064469 /nfs/dbraw/zinc/06/44/69/343064469.db2.gz VCBKIXQFEBRQBL-NSHDSACASA-N 2 2 176.263 1.174 40 0 ADABLP C[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] 19929413 343064501 /nfs/dbraw/zinc/06/45/01/343064501.db2.gz VCBKIXQFEBRQBL-LLVKDONJSA-N 2 2 176.263 1.174 40 0 ADABLP C[N@H+]1CCc2ccccc2[C@H]1C[NH3+] 19929413 343064503 /nfs/dbraw/zinc/06/45/03/343064503.db2.gz VCBKIXQFEBRQBL-LLVKDONJSA-N 2 2 176.263 1.174 40 0 ADABLP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC 19960730 343065418 /nfs/dbraw/zinc/06/54/18/343065418.db2.gz YRWYLCWNNYJYSW-QWRGUYRKSA-N 2 2 184.327 1.859 40 0 ADABLP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC 19960730 343065419 /nfs/dbraw/zinc/06/54/19/343065419.db2.gz YRWYLCWNNYJYSW-QWRGUYRKSA-N 2 2 184.327 1.859 40 0 ADABLP CC[C@H](C)[N@@H+]1CCC[NH2+]CC1 20217254 343069346 /nfs/dbraw/zinc/06/93/46/343069346.db2.gz FIKBQAGYCBMCAW-VIFPVBQESA-N 2 2 156.273 1.080 40 0 ADABLP CC[C@H](C)[N@H+]1CCC[NH2+]CC1 20217254 343069349 /nfs/dbraw/zinc/06/93/49/343069349.db2.gz FIKBQAGYCBMCAW-VIFPVBQESA-N 2 2 156.273 1.080 40 0 ADABLP C[N@H+](CC[NH3+])Cc1cccc(F)c1 20266631 343070338 /nfs/dbraw/zinc/07/03/38/343070338.db2.gz JZFULOJLAJZFJS-UHFFFAOYSA-N 2 2 182.242 1.216 40 0 ADABLP C[N@@H+](CC[NH3+])Cc1cccc(F)c1 20266631 343070340 /nfs/dbraw/zinc/07/03/40/343070340.db2.gz JZFULOJLAJZFJS-UHFFFAOYSA-N 2 2 182.242 1.216 40 0 ADABLP CC(C)[C@H]([NH3+])C[NH+]1CCSCC1 20257459 343070392 /nfs/dbraw/zinc/07/03/92/343070392.db2.gz XLXVTKBFVZVEGE-SECBINFHSA-N 2 2 188.340 1.019 40 0 ADABLP C[C@H]([NH3+])C[NH+]1CCCCCCC1 20265629 343070489 /nfs/dbraw/zinc/07/04/89/343070489.db2.gz OMZSJNSCEFMMNJ-JTQLQIEISA-N 2 2 170.300 1.600 40 0 ADABLP Cc1ccc(C[N@H+](C)CC[NH3+])cc1 20264623 343070494 /nfs/dbraw/zinc/07/04/94/343070494.db2.gz UYCVTWKODFPTBW-UHFFFAOYSA-N 2 2 178.279 1.386 40 0 ADABLP Cc1ccc(C[N@@H+](C)CC[NH3+])cc1 20264623 343070496 /nfs/dbraw/zinc/07/04/96/343070496.db2.gz UYCVTWKODFPTBW-UHFFFAOYSA-N 2 2 178.279 1.386 40 0 ADABLP CC(C)[C@@H]([NH3+])C[NH+]1CCSCC1 20257458 343070509 /nfs/dbraw/zinc/07/05/09/343070509.db2.gz XLXVTKBFVZVEGE-VIFPVBQESA-N 2 2 188.340 1.019 40 0 ADABLP CCCC[NH2+]C[C@H]1CCC[N@@H+]1C 22073433 343078005 /nfs/dbraw/zinc/07/80/05/343078005.db2.gz UEIINEGMKGTLMM-SNVBAGLBSA-N 2 2 170.300 1.470 40 0 ADABLP CCCC[NH2+]C[C@H]1CCC[N@H+]1C 22073433 343078007 /nfs/dbraw/zinc/07/80/07/343078007.db2.gz UEIINEGMKGTLMM-SNVBAGLBSA-N 2 2 170.300 1.470 40 0 ADABLP CCCC[NH2+]C[C@@H]1CCC[N@@H+]1C 22073431 343078322 /nfs/dbraw/zinc/07/83/22/343078322.db2.gz UEIINEGMKGTLMM-JTQLQIEISA-N 2 2 170.300 1.470 40 0 ADABLP CCCC[NH2+]C[C@@H]1CCC[N@H+]1C 22073431 343078324 /nfs/dbraw/zinc/07/83/24/343078324.db2.gz UEIINEGMKGTLMM-JTQLQIEISA-N 2 2 170.300 1.470 40 0 ADABLP CCCC[NH2+]C[C@@H]1CCCC[N@@H+]1C 22073509 343078670 /nfs/dbraw/zinc/07/86/70/343078670.db2.gz NYTHZICFEQSYOU-NSHDSACASA-N 2 2 184.327 1.860 40 0 ADABLP CCCC[NH2+]C[C@@H]1CCCC[N@H+]1C 22073509 343078672 /nfs/dbraw/zinc/07/86/72/343078672.db2.gz NYTHZICFEQSYOU-NSHDSACASA-N 2 2 184.327 1.860 40 0 ADABLP CCC[NH2+]C[C@@H]1CCCC[N@@H+]1C 22073488 343078799 /nfs/dbraw/zinc/07/87/99/343078799.db2.gz JTJVIOHWGCQBLY-JTQLQIEISA-N 2 2 170.300 1.470 40 0 ADABLP CCC[NH2+]C[C@@H]1CCCC[N@H+]1C 22073488 343078802 /nfs/dbraw/zinc/07/88/02/343078802.db2.gz JTJVIOHWGCQBLY-JTQLQIEISA-N 2 2 170.300 1.470 40 0 ADABLP CCC[NH2+]C[C@H]1CCCC[N@@H+]1C 22073490 343078927 /nfs/dbraw/zinc/07/89/27/343078927.db2.gz JTJVIOHWGCQBLY-SNVBAGLBSA-N 2 2 170.300 1.470 40 0 ADABLP CCC[NH2+]C[C@H]1CCCC[N@H+]1C 22073490 343078930 /nfs/dbraw/zinc/07/89/30/343078930.db2.gz JTJVIOHWGCQBLY-SNVBAGLBSA-N 2 2 170.300 1.470 40 0 ADABLP CCCC[NH2+]C[C@H]1CCCC[N@H+]1C 22073511 343079011 /nfs/dbraw/zinc/07/90/11/343079011.db2.gz NYTHZICFEQSYOU-LLVKDONJSA-N 2 2 184.327 1.860 40 0 ADABLP CCCC[NH2+]C[C@H]1CCCC[N@@H+]1C 22073511 343079010 /nfs/dbraw/zinc/07/90/10/343079010.db2.gz NYTHZICFEQSYOU-LLVKDONJSA-N 2 2 184.327 1.860 40 0 ADABLP CC1CC[NH+]([C@H]2CCC[C@@H]2[NH3+])CC1 23070351 343083337 /nfs/dbraw/zinc/08/33/37/343083337.db2.gz VKOKPRZNOQRUDZ-QWRGUYRKSA-N 2 2 182.311 1.598 40 0 ADABLP CC1CC[NH+]([C@@H]2CCC[C@@H]2[NH3+])CC1 23070350 343083501 /nfs/dbraw/zinc/08/35/01/343083501.db2.gz VKOKPRZNOQRUDZ-WDEREUQCSA-N 2 2 182.311 1.598 40 0 ADABLP CC1CC[NH+]([C@@H]2CCC[C@H]2[NH3+])CC1 23070353 343083558 /nfs/dbraw/zinc/08/35/58/343083558.db2.gz VKOKPRZNOQRUDZ-GHMZBOCLSA-N 2 2 182.311 1.598 40 0 ADABLP CC1CC[NH+]([C@H]2CCC[C@H]2[NH3+])CC1 23070354 343083595 /nfs/dbraw/zinc/08/35/95/343083595.db2.gz VKOKPRZNOQRUDZ-MNOVXSKESA-N 2 2 182.311 1.598 40 0 ADABLP CC(C)[N@H+](CC[NH3+])Cc1ccco1 32007622 343096499 /nfs/dbraw/zinc/09/64/99/343096499.db2.gz FWHOQXSGBXAMNE-UHFFFAOYSA-N 2 2 182.267 1.449 40 0 ADABLP CC(C)[N@@H+](CC[NH3+])Cc1ccco1 32007622 343096501 /nfs/dbraw/zinc/09/65/01/343096501.db2.gz FWHOQXSGBXAMNE-UHFFFAOYSA-N 2 2 182.267 1.449 40 0 ADABLP Cc1cc([C@H]([NH3+])C[NH3+])ccc1F 34781585 343125048 /nfs/dbraw/zinc/12/50/48/343125048.db2.gz XCDGHQZAQIVSRD-SECBINFHSA-N 2 2 168.215 1.093 40 0 ADABLP Cc1cc([C@@H]([NH3+])C[NH3+])ccc1F 34781587 343125134 /nfs/dbraw/zinc/12/51/34/343125134.db2.gz XCDGHQZAQIVSRD-VIFPVBQESA-N 2 2 168.215 1.093 40 0 ADABLP C[NH+](C)C[C@@H]1CSC(=[NH2+])S1 34897459 343125562 /nfs/dbraw/zinc/12/55/62/343125562.db2.gz XCMPHSVHEXXFBQ-RXMQYKEDSA-N 2 2 176.310 1.331 40 0 ADABLP CC(C)c1ccc([C@H]([NH3+])C[NH3+])cc1 35677100 343136527 /nfs/dbraw/zinc/13/65/27/343136527.db2.gz HXPNABRPCXFBBN-LLVKDONJSA-N 2 2 178.279 1.769 40 0 ADABLP CC(C)c1ccc([C@@H]([NH3+])C[NH3+])cc1 35677101 343136566 /nfs/dbraw/zinc/13/65/66/343136566.db2.gz HXPNABRPCXFBBN-NSHDSACASA-N 2 2 178.279 1.769 40 0 ADABLP CCc1ccc([C@H]([NH3+])C[NH3+])cc1 35677068 343136774 /nfs/dbraw/zinc/13/67/74/343136774.db2.gz TVIRYCQOSWAKEM-SNVBAGLBSA-N 2 2 164.252 1.208 40 0 ADABLP CCc1ccc([C@@H]([NH3+])C[NH3+])cc1 35677069 343136781 /nfs/dbraw/zinc/13/67/81/343136781.db2.gz TVIRYCQOSWAKEM-JTQLQIEISA-N 2 2 164.252 1.208 40 0 ADABLP [NH3+]CC[N@@H+]1C[C@H]2CCC[C@H](C2)C1 36067494 343140537 /nfs/dbraw/zinc/14/05/37/343140537.db2.gz KPDHTUKIBOXPDD-AOOOYVTPSA-N 2 2 168.284 1.067 40 0 ADABLP [NH3+]CC[N@H+]1C[C@H]2CCC[C@H](C2)C1 36067494 343140540 /nfs/dbraw/zinc/14/05/40/343140540.db2.gz KPDHTUKIBOXPDD-AOOOYVTPSA-N 2 2 168.284 1.067 40 0 ADABLP CCC[C@H]([NH3+])C[NH+]1CCSCC1 36873600 343152021 /nfs/dbraw/zinc/15/20/21/343152021.db2.gz PAMRCVLORVSKMP-VIFPVBQESA-N 2 2 188.340 1.163 40 0 ADABLP CCC[C@@H]([NH3+])C[NH+]1CCSCC1 36873601 343152060 /nfs/dbraw/zinc/15/20/60/343152060.db2.gz PAMRCVLORVSKMP-SECBINFHSA-N 2 2 188.340 1.163 40 0 ADABLP C[N@H+](C[C@@H]1CCCC[NH2+]1)C1CC1 37081292 343158278 /nfs/dbraw/zinc/15/82/78/343158278.db2.gz HCPUVHHUXWCSEC-VIFPVBQESA-N 2 2 168.284 1.223 40 0 ADABLP C[N@@H+](C[C@@H]1CCCC[NH2+]1)C1CC1 37081292 343158281 /nfs/dbraw/zinc/15/82/81/343158281.db2.gz HCPUVHHUXWCSEC-VIFPVBQESA-N 2 2 168.284 1.223 40 0 ADABLP C[N@H+](C[C@H]1CCCC[NH2+]1)C1CC1 37081293 343158695 /nfs/dbraw/zinc/15/86/95/343158695.db2.gz HCPUVHHUXWCSEC-SECBINFHSA-N 2 2 168.284 1.223 40 0 ADABLP C[N@@H+](C[C@H]1CCCC[NH2+]1)C1CC1 37081293 343158697 /nfs/dbraw/zinc/15/86/97/343158697.db2.gz HCPUVHHUXWCSEC-SECBINFHSA-N 2 2 168.284 1.223 40 0 ADABLP Cc1ccc([C@H](C[NH3+])[NH+](C)C)cc1C 37179970 343161953 /nfs/dbraw/zinc/16/19/53/343161953.db2.gz RSVBFMJFRYEDRM-LBPRGKRZSA-N 2 2 192.306 1.865 40 0 ADABLP Cc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1C 37179968 343162083 /nfs/dbraw/zinc/16/20/83/343162083.db2.gz RSVBFMJFRYEDRM-GFCCVEGCSA-N 2 2 192.306 1.865 40 0 ADABLP C[N@H+](CC[NH3+])Cc1cccc(Cl)c1 37267989 343164531 /nfs/dbraw/zinc/16/45/31/343164531.db2.gz MAAYIXSUCPLPIG-UHFFFAOYSA-N 2 2 198.697 1.731 40 0 ADABLP C[N@@H+](CC[NH3+])Cc1cccc(Cl)c1 37267989 343164533 /nfs/dbraw/zinc/16/45/33/343164533.db2.gz MAAYIXSUCPLPIG-UHFFFAOYSA-N 2 2 198.697 1.731 40 0 ADABLP C[N@H+](CC[NH3+])Cc1ccc(Cl)cc1 37267991 343164953 /nfs/dbraw/zinc/16/49/53/343164953.db2.gz CSHZRYFYNBQDPY-UHFFFAOYSA-N 2 2 198.697 1.731 40 0 ADABLP C[N@@H+](CC[NH3+])Cc1ccc(Cl)cc1 37267991 343164955 /nfs/dbraw/zinc/16/49/55/343164955.db2.gz CSHZRYFYNBQDPY-UHFFFAOYSA-N 2 2 198.697 1.731 40 0 ADABLP Cc1c[nH]c([C@@H]2CCC[NH2+]C2)[nH+]1 37412395 343168122 /nfs/dbraw/zinc/16/81/22/343168122.db2.gz BNWAFPIVGYOTAE-MRVPVSSYSA-N 2 2 165.240 1.185 40 0 ADABLP Cc1c[nH]c([C@H]2CCC[NH2+]C2)[nH+]1 37412397 343168140 /nfs/dbraw/zinc/16/81/40/343168140.db2.gz BNWAFPIVGYOTAE-QMMMGPOBSA-N 2 2 165.240 1.185 40 0 ADABLP Cc1ccc(C[NH2+]CC[NH3+])s1 37712622 343176299 /nfs/dbraw/zinc/17/62/99/343176299.db2.gz AMGDTEYUXPRHFW-UHFFFAOYSA-N 2 2 170.281 1.105 40 0 ADABLP C[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 37911183 343180612 /nfs/dbraw/zinc/18/06/12/343180612.db2.gz BMEIKBSYDWVNTP-UWVGGRQHSA-N 2 2 168.284 1.223 40 0 ADABLP C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 37911183 343180613 /nfs/dbraw/zinc/18/06/13/343180613.db2.gz BMEIKBSYDWVNTP-UWVGGRQHSA-N 2 2 168.284 1.223 40 0 ADABLP CCC(CC)[N@@H+]1CCC[NH2+]CC1 38086964 343184496 /nfs/dbraw/zinc/18/44/96/343184496.db2.gz LXCKXJVCVQOCFN-UHFFFAOYSA-N 2 2 170.300 1.470 40 0 ADABLP CCC(CC)[N@H+]1CCC[NH2+]CC1 38086964 343184498 /nfs/dbraw/zinc/18/44/98/343184498.db2.gz LXCKXJVCVQOCFN-UHFFFAOYSA-N 2 2 170.300 1.470 40 0 ADABLP CC(C)[NH2+]CC[NH2+]Cc1ccccc1 39189087 343205490 /nfs/dbraw/zinc/20/54/90/343205490.db2.gz FMTNNXQJKMDALV-UHFFFAOYSA-N 2 2 192.306 1.774 40 0 ADABLP CC(C)[NH2+][C@H]1CCC[N@H+](C)C1 40672062 343220788 /nfs/dbraw/zinc/22/07/88/343220788.db2.gz VLGPFQBYVNGJBA-VIFPVBQESA-N 2 2 156.273 1.079 40 0 ADABLP CC(C)[NH2+][C@H]1CCC[N@@H+](C)C1 40672062 343220791 /nfs/dbraw/zinc/22/07/91/343220791.db2.gz VLGPFQBYVNGJBA-VIFPVBQESA-N 2 2 156.273 1.079 40 0 ADABLP C[NH+](C)CC[NH2+]CC(C)(C)C 41043303 343226163 /nfs/dbraw/zinc/22/61/63/343226163.db2.gz WNNTVNQFUQEBQJ-UHFFFAOYSA-N 2 2 158.289 1.184 40 0 ADABLP CC(C)[N@H+](CC[NH3+])Cc1ccccn1 41056278 343228957 /nfs/dbraw/zinc/22/89/57/343228957.db2.gz FOWJYAMTQAWWDD-UHFFFAOYSA-N 2 2 193.294 1.251 40 0 ADABLP CC(C)[N@@H+](CC[NH3+])Cc1ccccn1 41056278 343228961 /nfs/dbraw/zinc/22/89/61/343228961.db2.gz FOWJYAMTQAWWDD-UHFFFAOYSA-N 2 2 193.294 1.251 40 0 ADABLP CC(C)[N@H+](CC[NH3+])Cc1ccncc1 41056320 343229150 /nfs/dbraw/zinc/22/91/50/343229150.db2.gz GMXBIZFKWUCASY-UHFFFAOYSA-N 2 2 193.294 1.251 40 0 ADABLP CC(C)[N@@H+](CC[NH3+])Cc1ccncc1 41056320 343229153 /nfs/dbraw/zinc/22/91/53/343229153.db2.gz GMXBIZFKWUCASY-UHFFFAOYSA-N 2 2 193.294 1.251 40 0 ADABLP CC(C)[N@H+](CC[NH3+])Cc1cccnc1 41056280 343229246 /nfs/dbraw/zinc/22/92/46/343229246.db2.gz NIOGTBXFTZFIHJ-UHFFFAOYSA-N 2 2 193.294 1.251 40 0 ADABLP CC(C)[N@@H+](CC[NH3+])Cc1cccnc1 41056280 343229247 /nfs/dbraw/zinc/22/92/47/343229247.db2.gz NIOGTBXFTZFIHJ-UHFFFAOYSA-N 2 2 193.294 1.251 40 0 ADABLP C[C@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 42225975 343238457 /nfs/dbraw/zinc/23/84/57/343238457.db2.gz GQEDMDKBMNELON-NSHDSACASA-N 2 2 196.338 1.860 40 0 ADABLP CC(C)[N@H+](CC[NH3+])Cc1ccsc1 42428499 343242510 /nfs/dbraw/zinc/24/25/10/343242510.db2.gz UGIZTOIFOMUJMV-UHFFFAOYSA-N 2 2 198.335 1.917 40 0 ADABLP CC(C)[N@@H+](CC[NH3+])Cc1ccsc1 42428499 343242513 /nfs/dbraw/zinc/24/25/13/343242513.db2.gz UGIZTOIFOMUJMV-UHFFFAOYSA-N 2 2 198.335 1.917 40 0 ADABLP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 42544930 343245314 /nfs/dbraw/zinc/24/53/14/343245314.db2.gz JWGFPUVDOJVBDM-RYUDHWBXSA-N 2 2 194.322 1.636 40 0 ADABLP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 42544930 343245315 /nfs/dbraw/zinc/24/53/15/343245315.db2.gz JWGFPUVDOJVBDM-RYUDHWBXSA-N 2 2 194.322 1.636 40 0 ADABLP CC1CCC([NH2+][C@@H]2CC[N@H+](C)C2)CC1 42543866 343245351 /nfs/dbraw/zinc/24/53/51/343245351.db2.gz PJEUUVHFKNESOU-HTAVTVPLSA-N 2 2 196.338 1.859 40 0 ADABLP CC1CCC([NH2+][C@@H]2CC[N@@H+](C)C2)CC1 42543866 343245353 /nfs/dbraw/zinc/24/53/53/343245353.db2.gz PJEUUVHFKNESOU-HTAVTVPLSA-N 2 2 196.338 1.859 40 0 ADABLP CC1CCC([NH2+][C@H]2CC[N@H+](C)C2)CC1 42543867 343245366 /nfs/dbraw/zinc/24/53/66/343245366.db2.gz PJEUUVHFKNESOU-MCIGGMRASA-N 2 2 196.338 1.859 40 0 ADABLP CC1CCC([NH2+][C@H]2CC[N@@H+](C)C2)CC1 42543867 343245368 /nfs/dbraw/zinc/24/53/68/343245368.db2.gz PJEUUVHFKNESOU-MCIGGMRASA-N 2 2 196.338 1.859 40 0 ADABLP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 42544932 343245374 /nfs/dbraw/zinc/24/53/74/343245374.db2.gz JWGFPUVDOJVBDM-NWDGAFQWSA-N 2 2 194.322 1.636 40 0 ADABLP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 42544932 343245378 /nfs/dbraw/zinc/24/53/78/343245378.db2.gz JWGFPUVDOJVBDM-NWDGAFQWSA-N 2 2 194.322 1.636 40 0 ADABLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42545189 343245449 /nfs/dbraw/zinc/24/54/49/343245449.db2.gz RNHMYNDUWFJIGQ-HBNTYKKESA-N 2 2 184.327 1.715 40 0 ADABLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42545189 343245452 /nfs/dbraw/zinc/24/54/52/343245452.db2.gz RNHMYNDUWFJIGQ-HBNTYKKESA-N 2 2 184.327 1.715 40 0 ADABLP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 42544745 343245535 /nfs/dbraw/zinc/24/55/35/343245535.db2.gz GDEMVFPLEAAZBR-IUCAKERBSA-N 2 2 156.273 1.079 40 0 ADABLP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 42544745 343245538 /nfs/dbraw/zinc/24/55/38/343245538.db2.gz GDEMVFPLEAAZBR-IUCAKERBSA-N 2 2 156.273 1.079 40 0 ADABLP C[N@@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 42544751 343245571 /nfs/dbraw/zinc/24/55/71/343245571.db2.gz MVHVOOFLXVEXDH-NSHDSACASA-N 2 2 182.311 1.613 40 0 ADABLP C[N@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 42544751 343245573 /nfs/dbraw/zinc/24/55/73/343245573.db2.gz MVHVOOFLXVEXDH-NSHDSACASA-N 2 2 182.311 1.613 40 0 ADABLP C[N@H+]1CC[C@@H]([NH2+]CC2CCCCC2)C1 42543978 343245601 /nfs/dbraw/zinc/24/56/01/343245601.db2.gz YULCSOYIXSRBEN-GFCCVEGCSA-N 2 2 196.338 1.860 40 0 ADABLP CCC(CC)C[NH2+][C@@H]1CC[N@H+](C)C1 42543974 343245603 /nfs/dbraw/zinc/24/56/03/343245603.db2.gz VDVAZENSSIJDAC-LLVKDONJSA-N 2 2 184.327 1.716 40 0 ADABLP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](C)C1 42543974 343245604 /nfs/dbraw/zinc/24/56/04/343245604.db2.gz VDVAZENSSIJDAC-LLVKDONJSA-N 2 2 184.327 1.716 40 0 ADABLP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42544741 343245620 /nfs/dbraw/zinc/24/56/20/343245620.db2.gz GDEMVFPLEAAZBR-DTWKUNHWSA-N 2 2 156.273 1.079 40 0 ADABLP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42544741 343245622 /nfs/dbraw/zinc/24/56/22/343245622.db2.gz GDEMVFPLEAAZBR-DTWKUNHWSA-N 2 2 156.273 1.079 40 0 ADABLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42545193 343245645 /nfs/dbraw/zinc/24/56/45/343245645.db2.gz RNHMYNDUWFJIGQ-GARJFASQSA-N 2 2 184.327 1.715 40 0 ADABLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42545193 343245647 /nfs/dbraw/zinc/24/56/47/343245647.db2.gz RNHMYNDUWFJIGQ-GARJFASQSA-N 2 2 184.327 1.715 40 0 ADABLP C[N@@H+]1CC[C@H]([NH2+]CC2CCCCC2)C1 42543977 343245658 /nfs/dbraw/zinc/24/56/58/343245658.db2.gz YULCSOYIXSRBEN-LBPRGKRZSA-N 2 2 196.338 1.860 40 0 ADABLP C[N@H+]1CC[C@H]([NH2+]CC2CCCCC2)C1 42543977 343245659 /nfs/dbraw/zinc/24/56/59/343245659.db2.gz YULCSOYIXSRBEN-LBPRGKRZSA-N 2 2 196.338 1.860 40 0 ADABLP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C1 42545102 343245681 /nfs/dbraw/zinc/24/56/81/343245681.db2.gz RBBOLZXFCDXMCL-VHSXEESVSA-N 2 2 170.300 1.326 40 0 ADABLP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C1 42545102 343245682 /nfs/dbraw/zinc/24/56/82/343245682.db2.gz RBBOLZXFCDXMCL-VHSXEESVSA-N 2 2 170.300 1.326 40 0 ADABLP CCC(CC)C[NH2+][C@H]1CC[N@@H+](C)C1 42543975 343245742 /nfs/dbraw/zinc/24/57/42/343245742.db2.gz VDVAZENSSIJDAC-NSHDSACASA-N 2 2 184.327 1.716 40 0 ADABLP CC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C1 42545106 343245785 /nfs/dbraw/zinc/24/57/85/343245785.db2.gz RBBOLZXFCDXMCL-UWVGGRQHSA-N 2 2 170.300 1.326 40 0 ADABLP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C1 42545106 343245787 /nfs/dbraw/zinc/24/57/87/343245787.db2.gz RBBOLZXFCDXMCL-UWVGGRQHSA-N 2 2 170.300 1.326 40 0 ADABLP Cc1ccc([C@@H]([NH3+])C[NH3+])cc1Cl 44472508 343266126 /nfs/dbraw/zinc/26/61/26/343266126.db2.gz TUUYPRDNBBGQEI-VIFPVBQESA-N 2 2 184.670 1.607 40 0 ADABLP Cc1ccc([C@H]([NH3+])C[NH3+])cc1Cl 44472505 343266257 /nfs/dbraw/zinc/26/62/57/343266257.db2.gz TUUYPRDNBBGQEI-SECBINFHSA-N 2 2 184.670 1.607 40 0 ADABLP Cc1cccc([C@@H]([NH3+])C[NH3+])c1C 44470318 343266369 /nfs/dbraw/zinc/26/63/69/343266369.db2.gz RRHHGSNSNIHWDX-JTQLQIEISA-N 2 2 164.252 1.262 40 0 ADABLP Cc1ccc(F)c([C@@H]([NH3+])C[NH3+])c1 44472254 343266382 /nfs/dbraw/zinc/26/63/82/343266382.db2.gz FJCPOTWIKINTJF-VIFPVBQESA-N 2 2 168.215 1.093 40 0 ADABLP Cc1cccc([C@H]([NH3+])C[NH3+])c1C 44470315 343266401 /nfs/dbraw/zinc/26/64/01/343266401.db2.gz RRHHGSNSNIHWDX-SNVBAGLBSA-N 2 2 164.252 1.262 40 0 ADABLP CC(C)[NH2+]C[C@H]1CCCC[N@@H+]1C 44561700 343267578 /nfs/dbraw/zinc/26/75/78/343267578.db2.gz KSISIIKXAXIUAE-SNVBAGLBSA-N 2 2 170.300 1.469 40 0 ADABLP CC(C)[NH2+]C[C@H]1CCCC[N@H+]1C 44561700 343267580 /nfs/dbraw/zinc/26/75/80/343267580.db2.gz KSISIIKXAXIUAE-SNVBAGLBSA-N 2 2 170.300 1.469 40 0 ADABLP CC(C)[NH2+]C[C@@H]1CCCC[N@@H+]1C 44561699 343267742 /nfs/dbraw/zinc/26/77/42/343267742.db2.gz KSISIIKXAXIUAE-JTQLQIEISA-N 2 2 170.300 1.469 40 0 ADABLP CC(C)[NH2+]C[C@@H]1CCCC[N@H+]1C 44561699 343267744 /nfs/dbraw/zinc/26/77/44/343267744.db2.gz KSISIIKXAXIUAE-JTQLQIEISA-N 2 2 170.300 1.469 40 0 ADABLP Cc1ccsc1C[N@@H+]1CC[C@@H]([NH3+])C1 50227855 343280043 /nfs/dbraw/zinc/28/00/43/343280043.db2.gz PBMGBUITGIKFMH-SECBINFHSA-N 2 2 196.319 1.590 40 0 ADABLP Cc1ccsc1C[N@H+]1CC[C@@H]([NH3+])C1 50227855 343280046 /nfs/dbraw/zinc/28/00/46/343280046.db2.gz PBMGBUITGIKFMH-SECBINFHSA-N 2 2 196.319 1.590 40 0 ADABLP CC(C)[NH2+]C[C@H]1CCC[N@@H+]1C 53648898 343314838 /nfs/dbraw/zinc/31/48/38/343314838.db2.gz WXTPAHNDIURSAT-SECBINFHSA-N 2 2 156.273 1.079 40 0 ADABLP CC(C)[NH2+]C[C@H]1CCC[N@H+]1C 53648898 343314839 /nfs/dbraw/zinc/31/48/39/343314839.db2.gz WXTPAHNDIURSAT-SECBINFHSA-N 2 2 156.273 1.079 40 0 ADABLP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]1C 53648897 343314857 /nfs/dbraw/zinc/31/48/57/343314857.db2.gz WXTPAHNDIURSAT-VIFPVBQESA-N 2 2 156.273 1.079 40 0 ADABLP CC(C)[NH2+]C[C@@H]1CCC[N@H+]1C 53648897 343314859 /nfs/dbraw/zinc/31/48/59/343314859.db2.gz WXTPAHNDIURSAT-VIFPVBQESA-N 2 2 156.273 1.079 40 0 ADABLP Cc1ccsc1C[N@H+](C)CC[NH3+] 54416903 343323792 /nfs/dbraw/zinc/32/37/92/343323792.db2.gz SKVGWNGGOZGQTH-UHFFFAOYSA-N 2 2 184.308 1.447 40 0 ADABLP Cc1ccsc1C[N@@H+](C)CC[NH3+] 54416903 343323793 /nfs/dbraw/zinc/32/37/93/343323793.db2.gz SKVGWNGGOZGQTH-UHFFFAOYSA-N 2 2 184.308 1.447 40 0 ADABLP C[C@H](c1ccc(F)cc1)[N@H+](C)CC[NH3+] 54416747 343323862 /nfs/dbraw/zinc/32/38/62/343323862.db2.gz SEFODHLPAZGSQH-SECBINFHSA-N 2 2 196.269 1.777 40 0 ADABLP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC[NH3+] 54416747 343323863 /nfs/dbraw/zinc/32/38/63/343323863.db2.gz SEFODHLPAZGSQH-SECBINFHSA-N 2 2 196.269 1.777 40 0 ADABLP C[NH+](C)[C@@](C)(C[NH3+])c1ccccc1 59842761 343347998 /nfs/dbraw/zinc/34/79/98/343347998.db2.gz MUMLDOWKYAHPJP-NSHDSACASA-N 2 2 178.279 1.422 40 0 ADABLP CC[C@@H](C)c1[nH]c(CC[NH3+])c[nH+]1 62716578 343378209 /nfs/dbraw/zinc/37/82/09/343378209.db2.gz KCWWIBBJYFAVBA-SSDOTTSWSA-N 2 2 167.256 1.424 40 0 ADABLP CC[C@@H](C)c1[nH]cc(CC[NH3+])[nH+]1 62716578 343378211 /nfs/dbraw/zinc/37/82/11/343378211.db2.gz KCWWIBBJYFAVBA-SSDOTTSWSA-N 2 2 167.256 1.424 40 0 ADABLP CC[C@H](C)c1[nH]c(CC[NH3+])c[nH+]1 62716579 343378337 /nfs/dbraw/zinc/37/83/37/343378337.db2.gz KCWWIBBJYFAVBA-ZETCQYMHSA-N 2 2 167.256 1.424 40 0 ADABLP CC[C@H](C)c1[nH]cc(CC[NH3+])[nH+]1 62716579 343378339 /nfs/dbraw/zinc/37/83/39/343378339.db2.gz KCWWIBBJYFAVBA-ZETCQYMHSA-N 2 2 167.256 1.424 40 0 ADABLP C[NH+](C)[C@](C)(C[NH3+])c1cccs1 70453213 343487607 /nfs/dbraw/zinc/48/76/07/343487607.db2.gz ZXYPYYLJVIFANE-SECBINFHSA-N 2 2 184.308 1.484 40 0 ADABLP Cc1ccccc1[C@](C)([NH3+])C[NH3+] 70453392 343487913 /nfs/dbraw/zinc/48/79/13/343487913.db2.gz MSIRFLDIMIOSKR-SNVBAGLBSA-N 2 2 164.252 1.128 40 0 ADABLP Cc1ccccc1[C@](C)(C[NH3+])[NH+](C)C 70453395 343488048 /nfs/dbraw/zinc/48/80/48/343488048.db2.gz HUKQKVWCQRJUFH-LBPRGKRZSA-N 2 2 192.306 1.731 40 0 ADABLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 72203998 343561221 /nfs/dbraw/zinc/56/12/21/343561221.db2.gz HIVVWXLICCPIHT-LBPRGKRZSA-N 2 2 190.290 1.447 40 0 ADABLP CC[C@H](C)n1cc[nH+]c1CC[NH3+] 72210052 343563470 /nfs/dbraw/zinc/56/34/70/343563470.db2.gz ZSKAZBYVEQFQDF-QMMMGPOBSA-N 2 2 167.256 1.355 40 0 ADABLP CC[C@@H](C)n1cc[nH+]c1CC[NH3+] 72210051 343563612 /nfs/dbraw/zinc/56/36/12/343563612.db2.gz ZSKAZBYVEQFQDF-MRVPVSSYSA-N 2 2 167.256 1.355 40 0 ADABLP Cc1cc(C2CC[NH2+]CC2)cc[nH+]1 72355723 343569873 /nfs/dbraw/zinc/56/98/73/343569873.db2.gz KGPWZMMBYWVOHE-UHFFFAOYSA-N 2 2 176.263 1.857 40 0 ADABLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]1C 72382321 343569754 /nfs/dbraw/zinc/56/97/54/343569754.db2.gz PRXIKRRMEANYHX-VIFPVBQESA-N 2 2 179.267 1.057 40 0 ADABLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]1C 72382321 343569756 /nfs/dbraw/zinc/56/97/56/343569756.db2.gz PRXIKRRMEANYHX-VIFPVBQESA-N 2 2 179.267 1.057 40 0 ADABLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]1C 72382322 343569959 /nfs/dbraw/zinc/56/99/59/343569959.db2.gz PRXIKRRMEANYHX-SECBINFHSA-N 2 2 179.267 1.057 40 0 ADABLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]1C 72382322 343569963 /nfs/dbraw/zinc/56/99/63/343569963.db2.gz PRXIKRRMEANYHX-SECBINFHSA-N 2 2 179.267 1.057 40 0 ADABLP C[C@H]([NH3+])Cc1c[nH+]c2ccccn12 74308571 343572066 /nfs/dbraw/zinc/57/20/66/343572066.db2.gz JNELVNXLQSUDEE-QMMMGPOBSA-N 2 2 175.235 1.224 40 0 ADABLP [NH3+][C@H]1CCC[C@H](n2cc[nH+]c2)C1 74338860 343572230 /nfs/dbraw/zinc/57/22/30/343572230.db2.gz IGDYCSPTDHTIFC-IUCAKERBSA-N 2 2 165.240 1.326 40 0 ADABLP [NH3+][C@H]1CCC[C@@H](n2cc[nH+]c2)C1 74338857 343572243 /nfs/dbraw/zinc/57/22/43/343572243.db2.gz IGDYCSPTDHTIFC-DTWKUNHWSA-N 2 2 165.240 1.326 40 0 ADABLP [NH3+][C@@H]1CCC[C@H](n2cc[nH+]c2)C1 74338868 343572365 /nfs/dbraw/zinc/57/23/65/343572365.db2.gz IGDYCSPTDHTIFC-BDAKNGLRSA-N 2 2 165.240 1.326 40 0 ADABLP Cc1ccc([C@@H]2C[N@H+](C)C[C@@H]2[NH3+])cc1 82390263 343600224 /nfs/dbraw/zinc/60/02/24/343600224.db2.gz SSIPRKPZXTXVPK-RYUDHWBXSA-N 2 2 190.290 1.351 40 0 ADABLP Cc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2[NH3+])cc1 82390263 343600228 /nfs/dbraw/zinc/60/02/28/343600228.db2.gz SSIPRKPZXTXVPK-RYUDHWBXSA-N 2 2 190.290 1.351 40 0 ADABLP Cc1ccc([C@H]2C[N@H+](C)C[C@@H]2[NH3+])cc1 82390264 343600340 /nfs/dbraw/zinc/60/03/40/343600340.db2.gz SSIPRKPZXTXVPK-NEPJUHHUSA-N 2 2 190.290 1.351 40 0 ADABLP Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2[NH3+])cc1 82390264 343600341 /nfs/dbraw/zinc/60/03/41/343600341.db2.gz SSIPRKPZXTXVPK-NEPJUHHUSA-N 2 2 190.290 1.351 40 0 ADABLP C[N@@H+]1C[C@@H]([NH3+])[C@H](c2cccs2)C1 82395057 343600666 /nfs/dbraw/zinc/60/06/66/343600666.db2.gz JSGCZXVHBCJWCB-HTQZYQBOSA-N 2 2 182.292 1.104 40 0 ADABLP C[N@H+]1C[C@@H]([NH3+])[C@H](c2cccs2)C1 82395057 343600670 /nfs/dbraw/zinc/60/06/70/343600670.db2.gz JSGCZXVHBCJWCB-HTQZYQBOSA-N 2 2 182.292 1.104 40 0 ADABLP C[N@@H+]1C[C@@H]([NH3+])[C@@H](c2cccs2)C1 82395053 343600761 /nfs/dbraw/zinc/60/07/61/343600761.db2.gz JSGCZXVHBCJWCB-JGVFFNPUSA-N 2 2 182.292 1.104 40 0 ADABLP C[N@H+]1C[C@@H]([NH3+])[C@@H](c2cccs2)C1 82395053 343600763 /nfs/dbraw/zinc/60/07/63/343600763.db2.gz JSGCZXVHBCJWCB-JGVFFNPUSA-N 2 2 182.292 1.104 40 0 ADABLP Cc1cc([C@@H]2CCC[NH2+]C2)cc[nH+]1 82869188 343614536 /nfs/dbraw/zinc/61/45/36/343614536.db2.gz VBWUTENTTLIMKA-LLVKDONJSA-N 2 2 176.263 1.857 40 0 ADABLP Cc1cn(C)c([C@@H]2CCC[NH2+]C2)[nH+]1 82871934 343614607 /nfs/dbraw/zinc/61/46/07/343614607.db2.gz QMZRKSZYQVUYJT-SECBINFHSA-N 2 2 179.267 1.196 40 0 ADABLP Cc1cn(C)c([C@H]2CCC[NH2+]C2)[nH+]1 82871935 343614689 /nfs/dbraw/zinc/61/46/89/343614689.db2.gz QMZRKSZYQVUYJT-VIFPVBQESA-N 2 2 179.267 1.196 40 0 ADABLP Cc1cc([C@H]2CCC[NH2+]C2)cc[nH+]1 82869189 343614723 /nfs/dbraw/zinc/61/47/23/343614723.db2.gz VBWUTENTTLIMKA-NSHDSACASA-N 2 2 176.263 1.857 40 0 ADABLP C[N@@H+]1C[C@@H]([NH3+])[C@H](c2ccc(F)cc2)C1 82894567 343614919 /nfs/dbraw/zinc/61/49/19/343614919.db2.gz ZKJZAPALZOUPMV-WDEREUQCSA-N 2 2 194.253 1.182 40 0 ADABLP C[N@H+]1C[C@@H]([NH3+])[C@H](c2ccc(F)cc2)C1 82894567 343614921 /nfs/dbraw/zinc/61/49/21/343614921.db2.gz ZKJZAPALZOUPMV-WDEREUQCSA-N 2 2 194.253 1.182 40 0 ADABLP C[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 82894566 343615313 /nfs/dbraw/zinc/61/53/13/343615313.db2.gz ZKJZAPALZOUPMV-GHMZBOCLSA-N 2 2 194.253 1.182 40 0 ADABLP C[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 82894566 343615315 /nfs/dbraw/zinc/61/53/15/343615315.db2.gz ZKJZAPALZOUPMV-GHMZBOCLSA-N 2 2 194.253 1.182 40 0 ADABLP Cc1[nH+]c(CC[NH3+])n2c1CCCC2 83964176 343628943 /nfs/dbraw/zinc/62/89/43/343628943.db2.gz ICIVLUDFJOZRPV-UHFFFAOYSA-N 2 2 179.267 1.029 40 0 ADABLP CN(c1cccc[nH+]1)C1CC[NH2+]CC1 84309855 343633763 /nfs/dbraw/zinc/63/37/63/343633763.db2.gz AWQWHSGQQUMIEY-UHFFFAOYSA-N 2 2 191.278 1.270 40 0 ADABLP CCC[NH2+]C[C@H]1CCCC[N@@H+]1CC 84583123 343637424 /nfs/dbraw/zinc/63/74/24/343637424.db2.gz CDIYIMIGMJBGKD-LLVKDONJSA-N 2 2 184.327 1.860 40 0 ADABLP CCC[NH2+]C[C@H]1CCCC[N@H+]1CC 84583123 343637426 /nfs/dbraw/zinc/63/74/26/343637426.db2.gz CDIYIMIGMJBGKD-LLVKDONJSA-N 2 2 184.327 1.860 40 0 ADABLP CCC[NH2+]C[C@@H]1CCCC[N@@H+]1CC 84583122 343637607 /nfs/dbraw/zinc/63/76/07/343637607.db2.gz CDIYIMIGMJBGKD-NSHDSACASA-N 2 2 184.327 1.860 40 0 ADABLP CCC[NH2+]C[C@@H]1CCCC[N@H+]1CC 84583122 343637608 /nfs/dbraw/zinc/63/76/08/343637608.db2.gz CDIYIMIGMJBGKD-NSHDSACASA-N 2 2 184.327 1.860 40 0 ADABLP CC(C)CCn1c[nH+]cc1C[NH3+] 85196088 343641440 /nfs/dbraw/zinc/64/14/40/343641440.db2.gz KZTMJGGDKUZWMT-UHFFFAOYSA-N 2 2 167.256 1.388 40 0 ADABLP CC1CC(C[N@@H+]2CCC[NH2+]CC2)C1 85393839 343643170 /nfs/dbraw/zinc/64/31/70/343643170.db2.gz HTUVMSFMDHYCQY-UHFFFAOYSA-N 2 2 182.311 1.328 40 0 ADABLP CC1CC(C[N@H+]2CCC[NH2+]CC2)C1 85393839 343643172 /nfs/dbraw/zinc/64/31/72/343643172.db2.gz HTUVMSFMDHYCQY-UHFFFAOYSA-N 2 2 182.311 1.328 40 0 ADABLP C[N@@H+]1CC[C@H]([NH3+])c2cc(F)ccc2C1 96509722 343697131 /nfs/dbraw/zinc/69/71/31/343697131.db2.gz DKIBXIFBXLGXIA-NSHDSACASA-N 2 2 194.253 1.661 40 0 ADABLP C[N@H+]1CC[C@H]([NH3+])c2cc(F)ccc2C1 96509722 343697134 /nfs/dbraw/zinc/69/71/34/343697134.db2.gz DKIBXIFBXLGXIA-NSHDSACASA-N 2 2 194.253 1.661 40 0 ADABLP C[N@@H+]1CC[C@@H]([NH3+])c2cc(F)ccc2C1 96509723 343697364 /nfs/dbraw/zinc/69/73/64/343697364.db2.gz DKIBXIFBXLGXIA-LLVKDONJSA-N 2 2 194.253 1.661 40 0 ADABLP C[N@H+]1CC[C@@H]([NH3+])c2cc(F)ccc2C1 96509723 343697365 /nfs/dbraw/zinc/69/73/65/343697365.db2.gz DKIBXIFBXLGXIA-LLVKDONJSA-N 2 2 194.253 1.661 40 0 ADABLP CCCC[N@H+](CC[NH3+])Cc1ccco1 96523722 343698351 /nfs/dbraw/zinc/69/83/51/343698351.db2.gz QWBRHRGRIHINJJ-UHFFFAOYSA-N 2 2 196.294 1.840 40 0 ADABLP CCCC[N@@H+](CC[NH3+])Cc1ccco1 96523722 343698354 /nfs/dbraw/zinc/69/83/54/343698354.db2.gz QWBRHRGRIHINJJ-UHFFFAOYSA-N 2 2 196.294 1.840 40 0 ADABLP CCC[N@H+](Cc1ccco1)C[C@@H](C)[NH3+] 96523900 343698396 /nfs/dbraw/zinc/69/83/96/343698396.db2.gz FGOORZRWEYTQAC-SNVBAGLBSA-N 2 2 196.294 1.839 40 0 ADABLP CCC[N@@H+](Cc1ccco1)C[C@H](C)[NH3+] 96523901 343698528 /nfs/dbraw/zinc/69/85/28/343698528.db2.gz FGOORZRWEYTQAC-JTQLQIEISA-N 2 2 196.294 1.839 40 0 ADABLP CCC[N@H+](Cc1ccco1)C[C@H](C)[NH3+] 96523901 343698530 /nfs/dbraw/zinc/69/85/30/343698530.db2.gz FGOORZRWEYTQAC-JTQLQIEISA-N 2 2 196.294 1.839 40 0 ADABLP C[N@@H+]1CCC[C@H]1C[NH2+]CCCC1CC1 96528421 343699178 /nfs/dbraw/zinc/69/91/78/343699178.db2.gz CQNKLZSJBKOKLD-LBPRGKRZSA-N 2 2 196.338 1.860 40 0 ADABLP C[N@H+]1CCC[C@H]1C[NH2+]CCCC1CC1 96528421 343699180 /nfs/dbraw/zinc/69/91/80/343699180.db2.gz CQNKLZSJBKOKLD-LBPRGKRZSA-N 2 2 196.338 1.860 40 0 ADABLP C[N@@H+]1CCC[C@@H]1C[NH2+]CCCC1CC1 96528419 343699267 /nfs/dbraw/zinc/69/92/67/343699267.db2.gz CQNKLZSJBKOKLD-GFCCVEGCSA-N 2 2 196.338 1.860 40 0 ADABLP C[N@H+]1CCC[C@@H]1C[NH2+]CCCC1CC1 96528419 343699268 /nfs/dbraw/zinc/69/92/68/343699268.db2.gz CQNKLZSJBKOKLD-GFCCVEGCSA-N 2 2 196.338 1.860 40 0 ADABLP Cc1cc(CC2CC[NH2+]CC2)cc[nH+]1 111854622 343754819 /nfs/dbraw/zinc/75/48/19/343754819.db2.gz ZUQKAEOSOAADKN-UHFFFAOYSA-N 2 2 190.290 1.932 40 0 ADABLP C[N@@H+]1CC[C@@H]2[NH2+]CCCCC[C@H]21 205702215 344374173 /nfs/dbraw/zinc/37/41/73/344374173.db2.gz APAPSVJTTXTJFA-VHSXEESVSA-N 2 2 168.284 1.223 40 0 ADABLP C[N@H+]1CC[C@@H]2[NH2+]CCCCC[C@H]21 205702215 344374174 /nfs/dbraw/zinc/37/41/74/344374174.db2.gz APAPSVJTTXTJFA-VHSXEESVSA-N 2 2 168.284 1.223 40 0 ADABLP C[N@@H+]1C[C@H]([NH3+])[C@H](c2cccs2)C1 216435377 344397777 /nfs/dbraw/zinc/39/77/77/344397777.db2.gz JSGCZXVHBCJWCB-SFYZADRCSA-N 2 2 182.292 1.104 40 0 ADABLP C[N@H+]1C[C@H]([NH3+])[C@H](c2cccs2)C1 216435377 344397779 /nfs/dbraw/zinc/39/77/79/344397779.db2.gz JSGCZXVHBCJWCB-SFYZADRCSA-N 2 2 182.292 1.104 40 0 ADABLP Cc1cc[nH+]cc1NC(C)(C)C[NH3+] 225737948 344485432 /nfs/dbraw/zinc/48/54/32/344485432.db2.gz FEYGRFJKSGTRHH-UHFFFAOYSA-N 2 2 179.267 1.539 40 0 ADABLP C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 227648646 344541791 /nfs/dbraw/zinc/54/17/91/344541791.db2.gz BMEIKBSYDWVNTP-VHSXEESVSA-N 2 2 168.284 1.223 40 0 ADABLP C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 227648646 344541794 /nfs/dbraw/zinc/54/17/94/344541794.db2.gz BMEIKBSYDWVNTP-VHSXEESVSA-N 2 2 168.284 1.223 40 0 ADABLP Cc1cc(C2C[NH2+]C2)cc[nH+]1 238521218 344810456 /nfs/dbraw/zinc/81/04/56/344810456.db2.gz PKAYOAXVEHSDQA-UHFFFAOYSA-N 2 2 148.209 1.077 40 0 ADABLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 238855306 344824024 /nfs/dbraw/zinc/82/40/24/344824024.db2.gz RNHMYNDUWFJIGQ-AXFHLTTASA-N 2 2 184.327 1.715 40 0 ADABLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 238855306 344824026 /nfs/dbraw/zinc/82/40/26/344824026.db2.gz RNHMYNDUWFJIGQ-AXFHLTTASA-N 2 2 184.327 1.715 40 0 ADABLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 238855307 344824075 /nfs/dbraw/zinc/82/40/75/344824075.db2.gz RNHMYNDUWFJIGQ-DCAQKATOSA-N 2 2 184.327 1.715 40 0 ADABLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 238855307 344824078 /nfs/dbraw/zinc/82/40/78/344824078.db2.gz RNHMYNDUWFJIGQ-DCAQKATOSA-N 2 2 184.327 1.715 40 0 ADABLP Cc1ccc([C@H]2C[N@H+](C)C[C@H]2[NH3+])cc1 251492334 344855294 /nfs/dbraw/zinc/85/52/94/344855294.db2.gz SSIPRKPZXTXVPK-VXGBXAGGSA-N 2 2 190.290 1.351 40 0 ADABLP Cc1ccc([C@H]2C[N@@H+](C)C[C@H]2[NH3+])cc1 251492334 344855296 /nfs/dbraw/zinc/85/52/96/344855296.db2.gz SSIPRKPZXTXVPK-VXGBXAGGSA-N 2 2 190.290 1.351 40 0 ADABLP c1ccc2c(c1)C[NH+]([C@@H]1CC[NH2+]C1)C2 19927103 351397928 /nfs/dbraw/zinc/39/79/28/351397928.db2.gz ILSPSRZZCYJKIL-GFCCVEGCSA-N 2 2 188.274 1.364 40 0 ADABLP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC 19960726 351398694 /nfs/dbraw/zinc/39/86/94/351398694.db2.gz YRWYLCWNNYJYSW-MNOVXSKESA-N 2 2 184.327 1.859 40 0 ADABLP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC 19960726 351398700 /nfs/dbraw/zinc/39/87/00/351398700.db2.gz YRWYLCWNNYJYSW-MNOVXSKESA-N 2 2 184.327 1.859 40 0 ADABLP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC 19960734 351398976 /nfs/dbraw/zinc/39/89/76/351398976.db2.gz YRWYLCWNNYJYSW-GHMZBOCLSA-N 2 2 184.327 1.859 40 0 ADABLP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC 19960734 351398977 /nfs/dbraw/zinc/39/89/77/351398977.db2.gz YRWYLCWNNYJYSW-GHMZBOCLSA-N 2 2 184.327 1.859 40 0 ADABLP CC[C@@H](C)[N@@H+]1CCC[NH2+]CC1 20217253 351402534 /nfs/dbraw/zinc/40/25/34/351402534.db2.gz FIKBQAGYCBMCAW-SECBINFHSA-N 2 2 156.273 1.080 40 0 ADABLP CC[C@@H](C)[N@H+]1CCC[NH2+]CC1 20217253 351402538 /nfs/dbraw/zinc/40/25/38/351402538.db2.gz FIKBQAGYCBMCAW-SECBINFHSA-N 2 2 156.273 1.080 40 0 ADABLP CC(C)CC[N@@H+]1CCC[NH2+]CC1 22165931 351412744 /nfs/dbraw/zinc/41/27/44/351412744.db2.gz XYAGVTCTZXLVQH-UHFFFAOYSA-N 2 2 170.300 1.328 40 0 ADABLP CC(C)CC[N@H+]1CCC[NH2+]CC1 22165931 351412748 /nfs/dbraw/zinc/41/27/48/351412748.db2.gz XYAGVTCTZXLVQH-UHFFFAOYSA-N 2 2 170.300 1.328 40 0 ADABLP CCOc1ccc([C@H]([NH3+])C[NH3+])cc1 35677090 351451938 /nfs/dbraw/zinc/45/19/38/351451938.db2.gz XGGMOGYIUIDDGK-SNVBAGLBSA-N 2 2 180.251 1.044 40 0 ADABLP CCOc1ccc([C@@H]([NH3+])C[NH3+])cc1 35677091 351452384 /nfs/dbraw/zinc/45/23/84/351452384.db2.gz XGGMOGYIUIDDGK-JTQLQIEISA-N 2 2 180.251 1.044 40 0 ADABLP CCOc1ccc(C[NH2+]CC[NH3+])cc1 37712274 351472083 /nfs/dbraw/zinc/47/20/83/351472083.db2.gz CYSMHWAQWLQBOI-UHFFFAOYSA-N 2 2 194.278 1.134 40 0 ADABLP CSc1ccc(C[NH2+]CC[NH3+])cc1 37712640 351472713 /nfs/dbraw/zinc/47/27/13/351472713.db2.gz MJIISDQJUVYEKE-UHFFFAOYSA-N 2 2 196.319 1.457 40 0 ADABLP CC(C)c1ccc(C[NH2+]CC[NH3+])cc1 37712331 351472812 /nfs/dbraw/zinc/47/28/12/351472812.db2.gz DYYVLYQXIVVKEJ-UHFFFAOYSA-N 2 2 192.306 1.858 40 0 ADABLP COc1ccc(C)cc1C[NH2+]CC[NH3+] 37712807 351473121 /nfs/dbraw/zinc/47/31/21/351473121.db2.gz FZCBZFFHUNGJNI-UHFFFAOYSA-N 2 2 194.278 1.052 40 0 ADABLP CCOc1cccc(C[NH2+]CC[NH3+])c1 37713056 351473148 /nfs/dbraw/zinc/47/31/48/351473148.db2.gz ABTAVNDDSCDTIS-UHFFFAOYSA-N 2 2 194.278 1.134 40 0 ADABLP C[C@H]1C[N@H+](C)CC=C1[NH+]1CCCC1 39416118 351501942 /nfs/dbraw/zinc/50/19/42/351501942.db2.gz GEFCKIVFWSEPFQ-JTQLQIEISA-N 2 2 180.295 1.019 40 0 ADABLP C[C@H]1C[N@@H+](C)CC=C1[NH+]1CCCC1 39416118 351501947 /nfs/dbraw/zinc/50/19/47/351501947.db2.gz GEFCKIVFWSEPFQ-JTQLQIEISA-N 2 2 180.295 1.019 40 0 ADABLP C[C@@H]1C[N@H+](C)CC=C1[NH+]1CCCC1 39416117 351502061 /nfs/dbraw/zinc/50/20/61/351502061.db2.gz GEFCKIVFWSEPFQ-SNVBAGLBSA-N 2 2 180.295 1.019 40 0 ADABLP C[C@@H]1C[N@@H+](C)CC=C1[NH+]1CCCC1 39416117 351502062 /nfs/dbraw/zinc/50/20/62/351502062.db2.gz GEFCKIVFWSEPFQ-SNVBAGLBSA-N 2 2 180.295 1.019 40 0 ADABLP CC(C)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42544109 351522792 /nfs/dbraw/zinc/52/27/92/351522792.db2.gz QZRUMIQJHOJUJM-GHMZBOCLSA-N 2 2 184.327 1.715 40 0 ADABLP CC(C)C[NH+](CC(C)C)C[C@H](C)[NH3+] 42291320 351521032 /nfs/dbraw/zinc/52/10/32/351521032.db2.gz XEPJBPFOQPBWKK-NSHDSACASA-N 2 2 186.343 1.948 40 0 ADABLP CC(C)C[NH+](CC(C)C)C[C@@H](C)[NH3+] 42291317 351521212 /nfs/dbraw/zinc/52/12/12/351521212.db2.gz XEPJBPFOQPBWKK-LLVKDONJSA-N 2 2 186.343 1.948 40 0 ADABLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 42543716 351522389 /nfs/dbraw/zinc/52/23/89/351522389.db2.gz KDARILKINJYNQU-GRYCIOLGSA-N 2 2 196.338 1.859 40 0 ADABLP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 42544743 351522189 /nfs/dbraw/zinc/52/21/89/351522189.db2.gz GDEMVFPLEAAZBR-BDAKNGLRSA-N 2 2 156.273 1.079 40 0 ADABLP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 42544743 351522193 /nfs/dbraw/zinc/52/21/93/351522193.db2.gz GDEMVFPLEAAZBR-BDAKNGLRSA-N 2 2 156.273 1.079 40 0 ADABLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 42543716 351522384 /nfs/dbraw/zinc/52/23/84/351522384.db2.gz KDARILKINJYNQU-GRYCIOLGSA-N 2 2 196.338 1.859 40 0 ADABLP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42544739 351522480 /nfs/dbraw/zinc/52/24/80/351522480.db2.gz GDEMVFPLEAAZBR-RKDXNWHRSA-N 2 2 156.273 1.079 40 0 ADABLP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42544739 351522484 /nfs/dbraw/zinc/52/24/84/351522484.db2.gz GDEMVFPLEAAZBR-RKDXNWHRSA-N 2 2 156.273 1.079 40 0 ADABLP CC[C@@H](C)C[NH2+][C@H]1CC[N@H+](C)C1 42545104 351522643 /nfs/dbraw/zinc/52/26/43/351522643.db2.gz RBBOLZXFCDXMCL-ZJUUUORDSA-N 2 2 170.300 1.326 40 0 ADABLP CC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)C1 42545104 351522647 /nfs/dbraw/zinc/52/26/47/351522647.db2.gz RBBOLZXFCDXMCL-ZJUUUORDSA-N 2 2 170.300 1.326 40 0 ADABLP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 42544115 351522658 /nfs/dbraw/zinc/52/26/58/351522658.db2.gz QZRUMIQJHOJUJM-QWRGUYRKSA-N 2 2 184.327 1.715 40 0 ADABLP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 42544115 351522661 /nfs/dbraw/zinc/52/26/61/351522661.db2.gz QZRUMIQJHOJUJM-QWRGUYRKSA-N 2 2 184.327 1.715 40 0 ADABLP CC(C)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42544109 351522790 /nfs/dbraw/zinc/52/27/90/351522790.db2.gz QZRUMIQJHOJUJM-GHMZBOCLSA-N 2 2 184.327 1.715 40 0 ADABLP CC(C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 42544113 351522839 /nfs/dbraw/zinc/52/28/39/351522839.db2.gz QZRUMIQJHOJUJM-MNOVXSKESA-N 2 2 184.327 1.715 40 0 ADABLP CC(C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 42544113 351522843 /nfs/dbraw/zinc/52/28/43/351522843.db2.gz QZRUMIQJHOJUJM-MNOVXSKESA-N 2 2 184.327 1.715 40 0 ADABLP CC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C)C1 42545100 351522901 /nfs/dbraw/zinc/52/29/01/351522901.db2.gz RBBOLZXFCDXMCL-NXEZZACHSA-N 2 2 170.300 1.326 40 0 ADABLP CC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C1 42545100 351522904 /nfs/dbraw/zinc/52/29/04/351522904.db2.gz RBBOLZXFCDXMCL-NXEZZACHSA-N 2 2 170.300 1.326 40 0 ADABLP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42544111 351522927 /nfs/dbraw/zinc/52/29/27/351522927.db2.gz QZRUMIQJHOJUJM-WDEREUQCSA-N 2 2 184.327 1.715 40 0 ADABLP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42544111 351522930 /nfs/dbraw/zinc/52/29/30/351522930.db2.gz QZRUMIQJHOJUJM-WDEREUQCSA-N 2 2 184.327 1.715 40 0 ADABLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 42543720 351523121 /nfs/dbraw/zinc/52/31/21/351523121.db2.gz KDARILKINJYNQU-IJLUTSLNSA-N 2 2 196.338 1.859 40 0 ADABLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 42543720 351523123 /nfs/dbraw/zinc/52/31/23/351523123.db2.gz KDARILKINJYNQU-IJLUTSLNSA-N 2 2 196.338 1.859 40 0 ADABLP c1cn(CCC[NH2+]C2CCC2)c[nH+]1 44480569 351538912 /nfs/dbraw/zinc/53/89/12/351538912.db2.gz RQFKABPEJLLJQD-UHFFFAOYSA-N 2 2 179.267 1.415 40 0 ADABLP c1ccc(NC[C@@H]2CCC[NH2+]C2)[nH+]c1 44502767 351539740 /nfs/dbraw/zinc/53/97/40/351539740.db2.gz KJWAOXZYXJYFIM-SNVBAGLBSA-N 2 2 191.278 1.493 40 0 ADABLP c1ccc(NC[C@H]2CCC[NH2+]C2)[nH+]c1 44502769 351540140 /nfs/dbraw/zinc/54/01/40/351540140.db2.gz KJWAOXZYXJYFIM-JTQLQIEISA-N 2 2 191.278 1.493 40 0 ADABLP c1ccc(NCC2CC[NH2+]CC2)[nH+]c1 44509164 351540228 /nfs/dbraw/zinc/54/02/28/351540228.db2.gz PZVOFVCTIUPSRP-UHFFFAOYSA-N 2 2 191.278 1.493 40 0 ADABLP CC(C)C[NH2+]C[C@@H]1CCC[N@@H+]1C 49832365 351550739 /nfs/dbraw/zinc/55/07/39/351550739.db2.gz CTLDLGNKXICJRZ-JTQLQIEISA-N 2 2 170.300 1.326 40 0 ADABLP CC(C)C[NH2+]C[C@@H]1CCC[N@H+]1C 49832365 351550744 /nfs/dbraw/zinc/55/07/44/351550744.db2.gz CTLDLGNKXICJRZ-JTQLQIEISA-N 2 2 170.300 1.326 40 0 ADABLP CC(C)C[NH2+]C[C@H]1CCC[N@@H+]1C 49832366 351550756 /nfs/dbraw/zinc/55/07/56/351550756.db2.gz CTLDLGNKXICJRZ-SNVBAGLBSA-N 2 2 170.300 1.326 40 0 ADABLP CC(C)C[NH2+]C[C@H]1CCC[N@H+]1C 49832366 351550759 /nfs/dbraw/zinc/55/07/59/351550759.db2.gz CTLDLGNKXICJRZ-SNVBAGLBSA-N 2 2 170.300 1.326 40 0 ADABLP CCOc1ccc([C@@H](C[NH3+])[NH2+]C)cc1 50269822 351552843 /nfs/dbraw/zinc/55/28/43/351552843.db2.gz QIVARPXVECHOAT-LLVKDONJSA-N 2 2 194.278 1.305 40 0 ADABLP c1cc(OC[C@@H]2CCC[NH2+]2)cc[nH+]1 51865788 351560541 /nfs/dbraw/zinc/56/05/41/351560541.db2.gz ICCJZDLZRAWEKS-VIFPVBQESA-N 2 2 178.235 1.212 40 0 ADABLP c1cc(OC[C@H]2CCC[NH2+]2)cc[nH+]1 51865790 351560733 /nfs/dbraw/zinc/56/07/33/351560733.db2.gz ICCJZDLZRAWEKS-SECBINFHSA-N 2 2 178.235 1.212 40 0 ADABLP c1cc(OCC2CC[NH2+]CC2)cc[nH+]1 51869622 351560754 /nfs/dbraw/zinc/56/07/54/351560754.db2.gz YRBOTPLETYXFCN-UHFFFAOYSA-N 2 2 192.262 1.460 40 0 ADABLP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC[NH3+] 54416746 351572266 /nfs/dbraw/zinc/57/22/66/351572266.db2.gz SEFODHLPAZGSQH-VIFPVBQESA-N 2 2 196.269 1.777 40 0 ADABLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[NH3+] 54416746 351572269 /nfs/dbraw/zinc/57/22/69/351572269.db2.gz SEFODHLPAZGSQH-VIFPVBQESA-N 2 2 196.269 1.777 40 0 ADABLP C[C@@]([NH3+])(C[NH3+])c1ccccc1Cl 70453414 351603885 /nfs/dbraw/zinc/60/38/85/351603885.db2.gz RLCJPZPNNWSMSS-SECBINFHSA-N 2 2 184.670 1.473 40 0 ADABLP CC(C)([NH3+])Cc1cn2ccccc2[nH+]1 80441425 351631471 /nfs/dbraw/zinc/63/14/71/351631471.db2.gz VABIJUQAXCIELM-UHFFFAOYSA-N 2 2 189.262 1.614 40 0 in-vitro ADABLP c1cn2ccc([C@@H]3CCC[NH2+]3)cc2[nH+]1 82879659 351642429 /nfs/dbraw/zinc/64/24/29/351642429.db2.gz CPPYQZWNHIDUNP-JTQLQIEISA-N 2 2 187.246 1.759 40 0 ADABLP c1ccc([C@H]2CC[NH2+]CC[NH2+]2)cc1 143954980 351747534 /nfs/dbraw/zinc/74/75/34/351747534.db2.gz QCAAXQQWOQRRIO-LLVKDONJSA-N 2 2 176.263 1.311 40 0 ADABLP c1ccc([C@@H]2CC[NH2+]CC[NH2+]2)cc1 143954814 351747657 /nfs/dbraw/zinc/74/76/57/351747657.db2.gz QCAAXQQWOQRRIO-NSHDSACASA-N 2 2 176.263 1.311 40 0 ADABLP c1cn(C2C[C@@H]3CC[C@H](C2)[NH2+]3)c[nH+]1 215684568 351786656 /nfs/dbraw/zinc/78/66/56/351786656.db2.gz VCFYSXOCOHTVQL-ULKQDVFKSA-N 2 2 177.251 1.339 40 0 ADABLP C[N@H+]1C[C@H](c2cccs2)[C@@H]([NH3+])C1 225607024 351797635 /nfs/dbraw/zinc/79/76/35/351797635.db2.gz JSGCZXVHBCJWCB-YUMQZZPRSA-N 2 2 182.292 1.104 40 0 ADABLP C[N@@H+]1C[C@H](c2cccs2)[C@@H]([NH3+])C1 225607024 351797636 /nfs/dbraw/zinc/79/76/36/351797636.db2.gz JSGCZXVHBCJWCB-YUMQZZPRSA-N 2 2 182.292 1.104 40 0 ADABLP C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 225606483 351797936 /nfs/dbraw/zinc/79/79/36/351797936.db2.gz ZKJZAPALZOUPMV-MNOVXSKESA-N 2 2 194.253 1.182 40 0 ADABLP C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 225606483 351797942 /nfs/dbraw/zinc/79/79/42/351797942.db2.gz ZKJZAPALZOUPMV-MNOVXSKESA-N 2 2 194.253 1.182 40 0 ADABLP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 225720264 351798533 /nfs/dbraw/zinc/79/85/33/351798533.db2.gz OJAKRWMKSPPCLX-QWRGUYRKSA-N 2 2 194.278 1.639 40 0 ADABLP C[N@@H+]1C2CCCC1([NH3+])CCC2 19321106 371625502 /nfs/dbraw/zinc/62/55/02/371625502.db2.gz IHGITWFZZORWQY-UHFFFAOYSA-N 2 2 154.257 1.310 40 0 ADABLP C[N@H+]1C2CCCC1([NH3+])CCC2 19321106 371625507 /nfs/dbraw/zinc/62/55/07/371625507.db2.gz IHGITWFZZORWQY-UHFFFAOYSA-N 2 2 154.257 1.310 40 0 ADABLP Cc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1F 82503610 371650444 /nfs/dbraw/zinc/65/04/44/371650444.db2.gz PVBCATRNCNTMCX-LLVKDONJSA-N 2 2 196.269 1.696 40 0 ADABLP C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 227648640 371721095 /nfs/dbraw/zinc/72/10/95/371721095.db2.gz BMEIKBSYDWVNTP-NXEZZACHSA-N 2 2 168.284 1.223 40 0 ADABLP C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 227648640 371721100 /nfs/dbraw/zinc/72/11/00/371721100.db2.gz BMEIKBSYDWVNTP-NXEZZACHSA-N 2 2 168.284 1.223 40 0 ADABLP C[NH+]1CCC(c2ccc(N)[nH+]c2)CC1 116054091 573247502 /nfs/dbraw/zinc/24/75/02/573247502.db2.gz HBFJGFXLBSZLIV-UHFFFAOYSA-N 2 2 191.278 1.473 40 0 ADABLP C[N@H+](CC[NH3+])[C@@H]1C[C@@H]1c1ccccc1 308662673 573669047 /nfs/dbraw/zinc/66/90/47/573669047.db2.gz QWZUBAJBWMQTMI-VXGBXAGGSA-N 2 2 190.290 1.433 40 0 ADABLP C[N@@H+](CC[NH3+])[C@@H]1C[C@@H]1c1ccccc1 308662673 573669051 /nfs/dbraw/zinc/66/90/51/573669051.db2.gz QWZUBAJBWMQTMI-VXGBXAGGSA-N 2 2 190.290 1.433 40 0 ADABLP CC(C)[NH+](CC(N)=[NH2+])C(C)C 228969627 519635124 /nfs/dbraw/zinc/63/51/24/519635124.db2.gz VGBXMWDFORJSEE-UHFFFAOYSA-N 2 2 157.261 1.041 40 0 ADABLP